SCHEMBL13638699

SCHEMBL13638699

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc(N(C)C)ccc4c3=O)nc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.47
PPARG P37231 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
KIT P10721 2/20 0.33
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL9922092 0.93 P2RY12 (0.56) P2RY12PPARGRAB9ARXFP1NR2E3
SCHEMBL9922446 0.90 P2RY12 (0.53) P2RY12KITERCC1FEN1ERCC4
SCHEMBL12706582 0.88 P2RY12 (0.46) P2RY12PPARGKITCA12CA1
SCHEMBL9922096 0.87 P2RY12 (0.47) P2RY12RXFP1KITERCC1FEN1
SCHEMBL14113676 0.86 P2RY12 (0.48) P2RY12RXFP1KITERCC1FEN1
SCHEMBL13638700 0.85 P2RY12 (0.47) P2RY12RXFP1KITERCC1FEN1
SCHEMBL9922100 0.85 P2RY12 (0.48) P2RY12KITERCC1FEN1ERCC4
SCHEMBL13638604 0.85 KMT2A (0.40) P2RY12PPARGRAB9ARXFP1NR2E3
SCHEMBL13633807 0.84 P2RY12 (0.58) P2RY12KITERCC1FEN1ERCC4
SCHEMBL9922330 0.82 P2RY12 (0.62) P2RY12KITERCC1FEN1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed