SCHEMBL6677989

SCHEMBL6677989

c1ccc2sc(SNSc3nc4ccccc4s3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
HPGD P15428 5/20 0.68
HSD17B10 Q99714 5/20 0.68
FBP1 P09467 3/20 0.68
ALOX15 P16050 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
DRD2 P14416 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
DRD1 P21728 1/20 0.68
MC5R P33032 1/20 0.68
OPRM1 P35372 1/20 0.68
DRD3 P35462 1/20 0.68
OPRK1 P41145 1/20 0.68
CCR2 P41597 1/20 0.68
HTR6 P50406 1/20 0.68
SLC6A3 Q01959 1/20 0.68
PDK1 Q15118 1/20 0.68

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
SCHEMBL3630208 0.85 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL18091181 0.85 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL10474784 0.85 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL547671 0.85 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL11424869 0.82 HPGD (0.59) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL5675266 0.82 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10FBP1ALOX15
Benzothiazyl Disulfide SCHEMBL11095350 0.81 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL30005981 0.81 ALDH1A1 (0.76) ALDH1A1HPGDHSD17B10FBP1ALOX15
Benzothiazyl Disulfide SCHEMBL29356396 0.81 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL381557 0.81 ALDH1A1 (0.76) ALDH1A1HPGDHSD17B10FBP1ALOX15

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218561-B1 REACTING A MERCAPTOALKOXYSILANE WITH A N-ALKYLBIS(BENZOTHIAZOLSULFEN)AMIDE. THE GOODYEAR TIRE & RUBBER COMPANY 2001-04-17 US claimed
EP-1155076-B1 IN SITU PREPARATION OF A BIS-(BENZOTHIAZOLESULFEN)AMIDE IN A POLYMERIC MATRIX UNIROYAL CHEM CO INC (US) 2004-10-20 EP disclosed
US-6573339-B1 Reacting a mixture consisting of an N-hydrocarbyl-2-benzothiazolesulfenamide and an anhydride of an aliphatic dicarboxylic acid containing four to six carbon atoms in situ in a natural or synthetic elastomer matrix UNIROYAL CHEMICAL COMPANY, INC. 2003-06-03 US disclosed
US-6573339-B1 Reacting a mixture consisting of an N-hydrocarbyl-2-benzothiazolesulfenamide and an anhydride of an aliphatic dicarboxylic acid containing four to six carbon atoms in situ in a natural or synthetic elastomer matrix UNIROYAL CHEMICAL COMPANY, INC. 2003-06-03 US disclosed
EP-1155076-A1 IN SITU PREPARATION OF A BIS-(BENZOTHIAZOLESULFEN)AMIDE IN A POLYMERIC MATRIX UNIROYAL CHEMICAL COMPANY, Inc. (US) 2001-11-21 EP disclosed
US-6218561-B1 REACTING A MERCAPTOALKOXYSILANE WITH A N-ALKYLBIS(BENZOTHIAZOLSULFEN)AMIDE. THE GOODYEAR TIRE & RUBBER COMPANY 2001-04-17 US disclosed
US-6218561-B1 REACTING A MERCAPTOALKOXYSILANE WITH A N-ALKYLBIS(BENZOTHIAZOLSULFEN)AMIDE. THE GOODYEAR TIRE & RUBBER COMPANY 2001-04-17 US disclosed
WO-2000042099-A1 IN SITU PREPARATION OF A BIS-(BENZOTHIAZOLESULFEN)AMIDE IN A POLYMERIC MATRIX UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-07-20 WO disclosed
WO-1992005218-A1 METHOD OF MANUFACTURING A NITROSAMINE-FREE RUBBER ARTICLE UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-04-02 WO disclosed