TDR Targets

Basic information

Technical information

TDR Targets ID: 519916
Name: 4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzothia zol-2-yl]phenyl]ethenyl]-N-methylaniline
MW: 404.5 | Formula: C24H21FN2OS
H donors: 1 H acceptors: 1 LogP: 6.61 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: FCCOc1ccc2c(c1)sc(n2)c1ccc(cc1)/C=C/c1ccc(cc1)NC
InChi: 1S/C24H21FN2OS/c1-26-20-10-6-18(7-11-20)3-2-17-4-8-19(9-5-17)24-27-22-13-12-21(28-15-14-25)16-23(22)29-24/h2-13,16,26H,14-15H2,1H3/b3-2+
InChiKey: YWMAAORIMDGZHX-NSCUHMNNSA-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

4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]phenyl]vinyl]-N-methyl-aniline
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]phenyl]vinyl]-N-methylaniline
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]phenyl]ethenyl]-N-methyl-aniline
[4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]phenyl]vinyl]phenyl]-methyl-amine

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 acetyltransferase MYST2	0.0054	0.0677	0.1539
Treponema pallidum	fructose-bisphosphate aldolase	0.0296	0.7535	0.5
Echinococcus granulosus	peregrin	0.003	0.0001	0.0001
Loa Loa (eye worm)	MBCTL1	0.0054	0.0677	0.1301
Onchocerca volvulus	Huntingtin homolog	0.0121	0.2576	0.4266
Brugia malayi	RNA binding protein	0.0062	0.0929	0.1784
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0197	0.0446
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.7535	0.7485
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0197	0.0271
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.026	0.0591
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.6038	0.5958
Brugia malayi	mbt repeat family protein	0.0047	0.0494	0.0947
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0223	0.0055
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.1056	0.2401
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0223	0.031
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0223	0.0027
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.1056	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.5753	0.5704
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0214	0.5204	1
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.0169	0.0324
Brugia malayi	PAS domain containing protein	0.0048	0.0522	0.1001
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0494	0.1122
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0176	0.0243
Giardia lamblia	Fructose-bisphosphate aldolase	0.0296	0.7535	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0223	0.0223
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0476	0.1081
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.7535	0.7485
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0032	0.0071
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0197	0.0085
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.1056	0.24
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0929	0.2111
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0197	0.0377
Brugia malayi	jmjC domain containing protein	0.0036	0.0176	0.0338
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.1056	0.2028
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0494	0.0681
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0197	0.0085
Brugia malayi	TAR-binding protein	0.0062	0.0929	0.1784
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0384	1	1
Schistosoma mansoni	hypothetical protein	0.0286	0.7237	1
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0384	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0929	0.1283
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0929	0.1784
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0032	0.0043
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.1056	0.2028
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0476	0.0656
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0494	0.1121
Brugia malayi	Inositol-1	0.0037	0.0223	0.0428
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0145	0.3254	0.3177
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0476	0.0656
Schistosoma mansoni	single-minded	0.0048	0.0522	0.072
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2576	0.495
Toxoplasma gondii	ABC1 family protein	0.0037	0.0197	0.0196
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0197	0.0085
Brugia malayi	mbt repeat family protein	0.0047	0.0494	0.0947
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0032	0.0043
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0929	0.1784
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0176	0.0338
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0197	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0597	0.1146
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0476	0.1081
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0197	0.0085
Brugia malayi	beta-lactamase	0.0037	0.0197	0.0377
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0328	0.0745
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0032	0.0043
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0197	0.0028
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0197	0.0085
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0001	0.0001
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.1056	1
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0197	0.0196
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0197	0.0028
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0223	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0161	0.3714	0.7137
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0494	0.1121
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0384	1	1
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0494	0.0816
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.7535	0.7485
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.1056	0.1458
Trichomonas vaginalis	hypothetical protein	0.0384	1	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.19	0.432
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0929	0.1283
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0476	0.108
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.1338	0.1848
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0929	0.1283
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0476	0.0656
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0494	0.0681
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0677	0.0935
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0677	0.154
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0032	0.006
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0384	1	1
Onchocerca volvulus		0.0037	0.0197	0.0325
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0032	0.0072
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0197	0.0085
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.089	0.1708
Echinococcus granulosus	single minded 2	0.0036	0.0169	0.0385
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0328	0.0744
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0476	0.0913
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0929	0.1283
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.7535	0.7485
Onchocerca volvulus		0.0031	0.0032	0.0052
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0176	0.0401
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0032	0.0071
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.0169	0.0383
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.19	0.4319
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0197	0.0447
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0223	0.031
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0197	0.0377
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0223	0.0508
Brugia malayi	hypothetical protein	0.0161	0.3714	0.7137
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0929	0.1784
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0494	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0494	0.0947
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0929	0.2112
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0197	0.0085
Schistosoma mansoni	aryl hydrocarbon receptor	0.0048	0.0522	0.072
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0197	0.0028
Brugia malayi	hypothetical protein	0.0121	0.2576	0.495
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0296	0.7535	1
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0384	1	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0145	0.3254	0.3138
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.7535	0.7485
Brugia malayi	beta-lactamase family protein	0.0037	0.0197	0.0377
Loa Loa (eye worm)	inositol-1	0.0037	0.0223	0.0428
Brugia malayi	jmjC domain containing protein	0.0097	0.19	0.365
Brugia malayi	hypoxia-induced factor 1	0.0149	0.3362	0.646
Brugia malayi	beta-lactamase family protein	0.0037	0.0197	0.0377
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0176	0.0399
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0176	0.0243
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0476	0.0913
Onchocerca volvulus		0.0047	0.0494	0.0816
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0197	0.0377
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.1056	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.1056	1
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0494	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0677	0.1301
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0384	1	1
Onchocerca volvulus		0.0037	0.0197	0.0325
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.7535	0.7485
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0223	0.0027
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0185	0.4398	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.7535	0.7485
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.026	0.059
Onchocerca volvulus		0.0036	0.0169	0.0279
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0677	0.1301
Brugia malayi	Pre-SET motif family protein	0.0214	0.5204	1
Onchocerca volvulus		0.0243	0.6038	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0197	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2576	0.495
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0296	0.7535	1
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0384	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0197	0.0377
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0223	0.031
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0197	0.0377
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0197	0.0271
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0223	0.0308
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0197	0.0377
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.1056	0.1139
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0197	0.0085
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.7535	0.7485
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0197	0.0085
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0197	0.0085
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0149	0.3362	0.646
Onchocerca volvulus	Huntingtin homolog	0.0121	0.2576	0.4266
Plasmodium vivax	SET domain protein, putative	0.0031	0.0032	0.0031
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0223	0.031
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0197	0.0377
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0929	0.1283
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0677	0.1539
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0929	0.1784
Onchocerca volvulus		0.0037	0.0197	0.0325
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0197	0.0085
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0223	0.0308
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0032	0.0031
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0223	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0197	0.0377
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0197	0.0028
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0145	0.3254	0.3177
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0032	0.0043
Mycobacterium ulcerans	lipase LipD	0.0037	0.0197	0.0028
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0185	0.4398	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0476	0.108
Brugia malayi	Pre-SET motif family protein	0.0031	0.0032	0.006
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0677	0.154
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0494	0.1122

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.52 nM	Displacement of [125I]TZDM from beta amyloid protein 42 (unknown origin)	ChEMBL.	18226893

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

PubChem: 25212368

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 519916