SCHEMBL3767711

SCHEMBL3767711

[AsH2]c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ADRA2A P08913 1/20 0.54
FBP1 P09467 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
DRD2 P14416 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
MC5R P33032 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
OPRK1 P41145 1/20 0.54
CCR2 P41597 1/20 0.54
HTR6 P50406 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PDK1 Q15118 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
2-Mercaptobenzothiazole SCHEMBL23237 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10TDP1ADRA2AFBP1
2-Mercaptobenzothiazole SCHEMBL3789760 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10TDP1ADRA2AFBP1
2-Mercaptobenzothiazole SCHEMBL29509878 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10TDP1ADRA2AFBP1
SCHEMBL827403 0.75 RAB9A (0.67) ALDH1A1HSD17B10TDP1HPGDNPC1
2-Mercaptobenzothiazole SCHEMBL10429471 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1ADRA2AFBP1
2-Mercaptobenzothiazole SCHEMBL78798 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1ADRA2AFBP1
2-Mercaptobenzothiazole SCHEMBL17684719 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1ADRA2AFBP1
2-Mercaptobenzothiazole SCHEMBL7640197 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1ADRA2AFBP1
2-Mercaptobenzothiazole SCHEMBL20537310 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1ADRA2AFBP1
2-Mercaptobenzothiazole SCHEMBL11575316 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1ADRA2AFBP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113888-A1 LUBRICATING OIL ADDITIVE COMPOSITION AND METHOD OF MAKING THE SAME CHEVRON ORONITE COMPANY LLC 2008-05-15 US claimed
US-10988854-B2 Flexible color adjustment for dark Cr(III) platings MACDERMID ENTHONE INC. (US) 2021-04-27 US disclosed
US-20200141022-A1 FLEXIBLE COLOR ADJUSTMENT FOR DARK Cr(III) PLATINGS MACDERMID ENTHONE INC. (US) 2020-05-07 US disclosed
EP-2190829-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES Rottapharm S.p.A. (IT) 2010-06-02 EP disclosed
WO-2009040331-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM S.P.A. (IT) 2009-04-02 WO disclosed