SCHEMBL3072508

SCHEMBL3072508

OC(CC(=S)c1ccco1)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
POLB P06746 4/20 0.47
MEN1 O00255 3/20 0.47
AGTR1 P30556 1/20 0.47
PTPN1 P18031 2/20 0.43
PKM P14618 1/20 0.43
PTPN7 P35236 1/20 0.43
BLM P54132 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MIF P14174 1/20 0.41
SLC5A2 P31639 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.36

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
SCHEMBL3074374 0.81 POLB (0.42) KMT2APOLBMEN1AGTR1PTPN1
SCHEMBL3082332 0.79 POLB (0.56) KMT2APOLBMEN1AGTR1PTPN1
SCHEMBL27813691 0.73 KMT2A (0.59) KMT2APOLBMEN1AGTR1PTPN1
SCHEMBL7578243 0.73 MIF (0.59) KMT2APOLBMEN1AGTR1PTPN1
SCHEMBL9764695 0.73 MIF (0.59) KMT2APOLBMEN1AGTR1PTPN1
SCHEMBL4453575 0.72 KMT2A (0.62) KMT2APOLBMEN1AGTR1PTPN1
SCHEMBL3814849 0.72 KMT2A (0.62) KMT2APOLBMEN1AGTR1PTPN1
SCHEMBL8023364 0.71 KMT2A (0.52) KMT2APOLBMEN1AGTR1PTPN1
SCHEMBL3073966 0.71
SCHEMBL23080115 0.70 CYP2C19 (0.62) KMT2APOLBMEN1AGTR1PTPN1

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 15 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
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