TDR Targets

Basic information

Technical information

TDR Targets ID: 680890
Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl )piperazin-1-yl]pentan-1-one
MW: 351.894 | Formula: C17H22ClN3OS
H donors: 0 H acceptors: 2 LogP: 4.47 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC(=O)N1CCN(CC1)c1sc2c(n1)c(C)ccc2Cl
InChi: 1S/C17H22ClN3OS/c1-3-4-5-14(22)20-8-10-21(11-9-20)17-19-15-12(2)6-7-13(18)16(15)23-17/h6-7H,3-5,8-11H2,1-2H3
InChiKey: RICNAIHKTWLXIH-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]pentan-1-one
ZINC05182743

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	YY1-associated factor 2	0.0004	0.0005	0.0006
Schistosoma mansoni	fusion	0.0004	0.0005	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0305	0.0315
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0305	0.354
Echinococcus multilocularis	muscleblind protein	0.0461	0.5502	0.5502
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0231	0.0231
Leishmania major	hypothetical protein, conserved	0.0051	0.0568	0.6645
Loa Loa (eye worm)	brahma associated protein	0.0011	0.0092	0.0095
Brugia malayi	Inositol-1	0.0074	0.0851	0.0879
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0159	0.0165
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0244	0.2901	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.1346	0.1392
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0159	0.0165
Brugia malayi	SWIB/MDM2 domain containing protein	0.0011	0.0092	0.0095
Schistosoma mansoni	hypothetical protein	0.0036	0.0394	0.0406
Onchocerca volvulus		0.0004	0.0005	0.002
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0004	0.0005	0.0006
Brugia malayi	MH1 domain containing protein	0.0004	0.001	0.001
Schistosoma mansoni	hypothetical protein	0.0008	0.0051	0.0053
Brugia malayi	hypothetical protein	0.0051	0.0568	0.0586
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0011	0.0092	0.1022
Schistosoma mansoni	hypothetical protein	0.0008	0.0051	0.0053
Schistosoma mansoni	hypothetical protein	0.0004	0.0005	0.0006
Onchocerca volvulus		0.0004	0.0005	0.002
Brugia malayi	MH1 domain containing protein	0.0008	0.0052	0.0054
Schistosoma mansoni	hypothetical protein	0.0011	0.0092	0.0095
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0011	0.0092	0.1022
Schistosoma mansoni	pap-inositol-14-phosphatase	0.0008	0.0051	0.0053
Trichomonas vaginalis	inositol monophosphatase, putative	0.0074	0.0851	0.3006
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0568	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0305	0.0315
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0052	0.0054
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0305	0.0315
Brugia malayi	MH2 domain containing protein	0.0115	0.1346	0.139
Echinococcus granulosus	Smad4	0.0008	0.0052	0.0054
Chlamydia trachomatis	SWIB complex protein	0.0011	0.0092	1
Onchocerca volvulus		0.0004	0.0005	0.002
Echinococcus granulosus	zinc finger protein Ran binding	0.0004	0.0005	0.0006
Echinococcus granulosus	muscleblind protein	0.0461	0.5502	0.5681
Echinococcus multilocularis	Smad4	0.0008	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0159	0.0165
Leishmania major	inositol polyphosphate 1-phosphatase, putative	0.0008	0.0051	0.0543
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0011	0.0092	0.0095
Brugia malayi	MH1 domain containing protein	0.0004	0.001	0.001
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.0092	0.0092
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0244	0.2901	1
Echinococcus granulosus	ring and YY1 binding protein	0.0004	0.0005	0.0006
Echinococcus granulosus	3'2'5' bisphosphate nucleotidase 1	0.0008	0.0051	0.0053
Schistosoma mansoni	hypothetical protein	0.0017	0.0159	0.0165
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0074	0.0851	0.5
Echinococcus granulosus	SWI:SNF matrix associated	0.0011	0.0092	0.0095
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0305	0.0315
Echinococcus multilocularis	inositol monophosphatase 1	0.0074	0.0851	0.0851
Brugia malayi	MH2 domain containing protein	0.0008	0.0052	0.0054
Onchocerca volvulus		0.0029	0.0305	0.1124
Echinococcus multilocularis	inositol monophosphatase	0.0008	0.0051	0.0051
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0568	0.0587
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0518	0.0535
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0004	0.0005	0.0006
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0595	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0005	0.0006
Echinococcus multilocularis	survival motor neuron protein 1	0.0241	0.2856	0.2856
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0159	0.0165
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0004	0.0005	0.0005
Schistosoma mansoni	hypothetical protein	0.0017	0.0159	0.0165
Echinococcus multilocularis	muscleblind protein 1	0.0461	0.5502	0.5502
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0568	1
Loa Loa (eye worm)	nuclear factor I	0.0004	0.001	0.001
Brugia malayi	Inositol monophosphatase family protein	0.0008	0.0051	0.0053
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0159	0.0159
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0305	0.0305
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0052	0.0054
Schistosoma mansoni	hypothetical protein	0.0023	0.0231	0.0239
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0052	0.0054
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0518	0.0535
Schistosoma mansoni	TRABID protein (C64 family)	0.0004	0.0005	0.0006
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0074	0.0851	1
Trypanosoma brucei	inositol polyphosphate 1-phosphatase, putative	0.0008	0.0051	0.0543
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0518	0.0535
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0052	0.0054
Brugia malayi	brahma associated protein 60 kDa	0.0011	0.0092	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0407
Onchocerca volvulus	Inositol monophosphatase 3 homolog	0.0008	0.0051	0.0189
Schistosoma mansoni	hypothetical protein	0.0017	0.0159	0.0165
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0004	0.0005	0.0006
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0231	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0005	0.0006
Leishmania major	myo-inositol-1 phosphatase, putative	0.0008	0.0051	0.0543
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0074	0.0851	0.3006
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0595	0.0615
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0092	0.0152
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0052	0.0052
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0244	0.2901	0.3
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0005	0.0006
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0011	0.0092	0.0092
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0052	0.0054
Echinococcus granulosus	Zinc finger RanBP2 type	0.0004	0.0005	0.0006
Schistosoma mansoni	inositol monophosphatase	0.0074	0.0851	0.0879
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0568	0.6645
Schistosoma mansoni	Smad4	0.0008	0.0052	0.0054
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0052	0.0054
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0518	0.0518
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0159	0.0165
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0011	0.0092	0.0095
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0074	0.0851	0.3006
Brugia malayi	hypothetical protein	0.0033	0.0351	0.0363
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0518	0.0518
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.0092	0.0092
Brugia malayi	MH1 domain containing protein	0.0008	0.0052	0.0054
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0004	0.0005	0.0006
Schistosoma mansoni	hypothetical protein	0.0011	0.0092	0.0095
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0851	0.2922
Schistosoma mansoni	hypothetical protein	0.0017	0.0159	0.0165
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0394	0.0406
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0004	0.0005	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0005	0.0006
Brugia malayi	brahma associated protein 60 kDa	0.0011	0.0092	0.0095
Chlamydia trachomatis	DNA topoisomerase I	0.0011	0.0092	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0074	0.0851	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0004	0.0005	0.0005
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0305	0.0305
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0568	0.1942
Trypanosoma cruzi	myo-inositol-1 phosphatase, putative	0.0008	0.0051	0.0159
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0808	0.9684	0.9684
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0851	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0518	0.0536
Onchocerca volvulus		0.0229	0.2713	1
Loa Loa (eye worm)	inositol-1	0.0074	0.0851	0.088
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.2713	1
Toxoplasma gondii	hypothetical protein	0.0008	0.0051	0.0543
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0518	0.0535
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.2378	0.2459
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0518	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0595	0.0616
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0052	0.0054
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0066	0.0758	1
Brugia malayi	MH2 domain containing protein	0.0008	0.0052	0.0054
Echinococcus granulosus	survival motor neuron protein 1	0.0241	0.2856	0.2949
Schistosoma mansoni	hypothetical protein	0.0011	0.0092	0.0095
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0518	0.0535
Schistosoma mansoni	hypothetical protein	0.0049	0.0549	0.0567
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0549	0.0567
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0568	1
Echinococcus multilocularis	smad	0.0008	0.0052	0.0052
Schistosoma mansoni	brg-1 associated factor	0.0011	0.0092	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0807	0.967	1
Trypanosoma cruzi	inositol polyphosphate 1-phosphatase, putative	0.0008	0.0051	0.0159
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0052	0.0052
Onchocerca volvulus		0.0004	0.0005	0.002
Loa Loa (eye worm)	hypothetical protein	0.0004	0.001	0.001
Echinococcus granulosus	inositol monophosphatase	0.0008	0.0051	0.0053
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0011	0.0092	0.1538
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.0092	0.0092
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0004	0.0005	0.002
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0568	0.6645
Schistosoma mansoni	smad	0.0008	0.0052	0.0054
Schistosoma mansoni	myo inositol monophosphatase	0.0008	0.0051	0.0053
Schistosoma mansoni	zinc finger protein	0.0004	0.0005	0.0006
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.1346	0.1392
Echinococcus granulosus	GPCR family 2	0.0017	0.0159	0.0165
Schistosoma mansoni	RNA binding protein	0.0004	0.0005	0.0006
Echinococcus multilocularis	zinc finger protein Ran binding	0.0004	0.0005	0.0005
Echinococcus multilocularis	3'(2'),5' bisphosphate nucleotidase 1	0.0008	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0005	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0461	0.5502	0.569
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0074	0.0851	1
Echinococcus granulosus	smad	0.0008	0.0052	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2856	0.2953
Brugia malayi	Smad1	0.0008	0.0052	0.0054
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0292	0.0302
Brugia malayi	hypothetical protein	0.0241	0.2856	0.2949
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0595	0.0615
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0305	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0051	0.0053
Brugia malayi	Inositol monophosphatase family protein	0.0008	0.0051	0.0053
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0568	0.1942
Schistosoma mansoni	inositol monophosphatase	0.0074	0.0851	0.0879
Giardia lamblia	Hypothetical protein	0.0008	0.0051	0.5
Brugia malayi	Pre-SET motif family protein	0.0029	0.0305	0.0315
Brugia malayi	Neuronal symmetry protein 1	0.0808	0.9684	1
Echinococcus granulosus	inositol monophosphatase 1	0.0074	0.0851	0.0879
Plasmodium vivax	SET domain protein, putative	0.0029	0.0305	0.4478
Brugia malayi	Pre-SET motif family protein	0.0201	0.2378	0.2456
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0851	0.2922
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0066	0.0758	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0851	1
Schistosoma mansoni	protein kinase	0.0808	0.9684	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0305	0.0315
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0004	0.0005	0.0005
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0159	0.0165
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0549	0.0567
Loa Loa (eye worm)	Smad1	0.0008	0.0052	0.0054
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0011	0.0092	0.1538
Brugia malayi	Muscleblind-like protein	0.0461	0.5502	0.5681
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0243	0.2886	0.2985
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0052	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0461	0.5502	0.569
Schistosoma mansoni	protein kinase	0.0808	0.9684	1
Onchocerca volvulus		0.0049	0.0549	0.2023
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0051	0.0053
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0808	0.9684	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase, putative	0.0008	0.0051	0.0543
Onchocerca volvulus		0.0011	0.0092	0.0339

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 680890