SCHEMBL3083685

SCHEMBL3083685

O=C(C=S)CC(=S)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
TAS2R38 P59533 3/20 0.47
EPHX1 P07099 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GAA P10253 4/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TGM2 P21980 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3071122 0.80 HSD17B10 (0.64) ABATALDH1A1HSD17B10TAS2R38EPHX1
SCHEMBL3071119 0.79 ALDH1A1 (0.58) ABATALDH1A1HSD17B10TAS2R38EPHX1
SCHEMBL3062252 0.77 MAPT (0.58) ABATALDH1A1HSD17B10TAS2R38EPHX1
SCHEMBL3069525 0.77 ALDH1A1 (0.57) ABATALDH1A1HSD17B10TAS2R38EPHX1
SCHEMBL9129270 0.76 KMT2A (0.59) ABATALDH1A1HSD17B10TAS2R38EPHX1
SCHEMBL5830369 0.74 TGM2 (0.63) ALDH1A1HSD17B10TAS2R38EPHX1SMN1; SMN2
SCHEMBL3069527 0.74 ALDH1A1 (0.64) ABATALDH1A1HSD17B10TAS2R38TP53
SCHEMBL29875388 0.73 ALDH1A1 (0.52) ABATALDH1A1HSD17B10TAS2R38EPHX1
SCHEMBL11027615 0.71 ALDH1A1 (0.50) ABATALDH1A1HSD17B10TAS2R38EPHX1
SCHEMBL3074950 0.71 HSD17B10 (0.52) ABATALDH1A1HSD17B10TAS2R38TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed