TDR Targets

Basic information

Technical information

TDR Targets ID: 658155
Name: 1-(3-chlorophenyl)-N-[4-(naphthalen-1-ylmethy l)piperazin-1-yl]methanimine
MW: 363.883 | Formula: C22H22ClN3
H donors: 0 H acceptors: 0 LogP: 5.3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)C=NN1CCN(CC1)Cc1cccc2c1cccc2
InChi: 1S/C22H22ClN3/c23-21-9-3-5-18(15-21)16-24-26-13-11-25(12-14-26)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16H,11-14,17H2/b24-16+
InChiKey: NDBICGWYYNCCHZ-LFVJCYFKSA-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-(3-chlorophenyl)-N-[4-(1-naphthylmethyl)piperazin-1-yl]methanimine
1-(3-chlorophenyl)-N-[4-(1-naphthylmethyl)-1-piperazinyl]methanimine
(E)-(3-chlorobenzylidene)-[4-(1-naphthylmethyl)piperazin-1-yl]amine
(3-chlorobenzylidene)-[4-(1-naphthylmethyl)piperazin-1-yl]amine
ST5421009
Oprea1_029192

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
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0261	0.0232
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.4132	1
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0029	0.0151
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0531	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0244	0.0216
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0531	0.2647
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0495	0.0467
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0495	0.0467
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0495	0.0467
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.4132	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0531	0.2647
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.014	0.1926	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0495	0.0467
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0531	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0755	0.0728
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0286	0.4132	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0014	0.0029	0.0151
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0495	0.0467
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.014	0.1926	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0531	0.2758
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0351	0.1127
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0755	0.2536
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0755	0.0728
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0531	0.2647
Onchocerca volvulus		0.0029	0.0261	0.0705
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0495	0.1629
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0531	0.1755
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0531	0.2647
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0014	0.0029	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0675	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0531	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0261	0.0232
Brugia malayi	TAR-binding protein	0.0062	0.0755	0.2536
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0014	0.0029	0.0151
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0531	0.2647
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0351	0.1127
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0014	0.0029	0.0151
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.0531	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0351	0.1127
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0029	0.5
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0014	0.0029	0.0151
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.4132	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0755	0.0728
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0014	0.0029	0.0151
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0755	0.2536
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0351	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0351	0.1825
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0495	0.0467
Brugia malayi	RNA binding protein	0.0062	0.0755	0.2536
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0261	0.0809
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0261	0.0232
Giardia lamblia	Fructose-bisphosphate aldolase	0.0286	0.4132	0.5
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0014	0.0029	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0322	0.1674
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0351	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0495	0.1629
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.4132	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.4132	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0531	0.2647
Echinococcus multilocularis	microtubule associated protein 2	0.0675	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0755	0.2536
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.3315	0.8008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0029	0.0151
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0531	0.2647
Onchocerca volvulus		0.0232	0.3315	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.4132	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0014	0.0029	0.5
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0029	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0495	0.0467
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0531	0.2647
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0261	0.0232
Onchocerca volvulus		0.0047	0.0531	0.1529
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0531	0.2647
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.4132	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0261	0.0232
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0531	0.1224
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0351	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0029	0.5
Treponema pallidum	ATP-binding protein (ylxH-1)	0.0444	0.6526	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0531	0.1755
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0755	0.2536
Brugia malayi	Pre-SET motif family protein	0.0029	0.0261	0.0809
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0755	0.0728
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0261	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0351	0.17
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0531	0.1224
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0322	0.1674
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0531	0.2647
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0531	0.2758
Plasmodium vivax	SET domain protein, putative	0.0029	0.0261	0.7182
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0351	0.1127
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.014	0.1926	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0261	0.0232
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.289	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0322	0.1674
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0014	0.0029	0.0151
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0755	0.0728
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0286	0.4132	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0531	0.1755
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0261	0.0232
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0755	0.0728
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0029	0.0151
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.4132	1
Brugia malayi	Pre-SET motif family protein	0.0203	0.289	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0531	0.1755
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0029	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0351	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0531	0.1755
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0531	0.1755
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0014	0.0029	0.0151
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0755	0.0728
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0322	0.1674

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 658155