SCHEMBL3070807

SCHEMBL3070807

S=C(Nc1ccccc1)C(=S)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
TAS2R38 P59533 3/20 0.70
HSD17B10 Q99714 2/20 0.70
CYP3A4 P08684 1/20 0.70
GAA P10253 6/20 0.64
KMT2A Q03164 4/20 0.64
TP53 P04637 2/20 0.64
TSHR P16473 2/20 0.64
MEN1 O00255 2/20 0.64
RAB9A P51151 2/20 0.64
NOX1 Q9Y5S8 2/20 0.64
NPC1 O15118 1/20 0.64
TYR P14679 1/20 0.64
PHGDH O43175 1/20 0.61
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
EPHX1 P07099 1/20 0.55
EPHX2 P34913 1/20 0.55

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
SCHEMBL3073447 0.87 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL5885020 0.85 ALDH1A1 (0.58) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL3609840 0.83 ALDH1A1 (0.64) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL3070810 0.83 ALDH1A1 (0.56) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL132620 0.82 ALDH1A1 (1.00) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL1936559 0.82 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL3073451 0.81 ALDH1A1 (0.61) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL11652375 0.81 TAS2R38 (0.61) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
Hydrochloric Acid SCHEMBL11243942 0.80 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL9470190 0.80 ALDH1A1 (0.94) ALDH1A1TAS2R38HSD17B10CYP3A4GAA

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-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-4201588-A NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, CARBAZIDES OR QUINONES AS PHOTOREDUCTANT; EXTERNAL HYDROGEN SOURCE EASTMAN KODAK COMPANY (US) 1980-05-06 US disclosed