SCHEMBL13638502

SCHEMBL13638502

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3ccc4cc(N(C)C)ccc4c3=O)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
PPARG P37231 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
P2RY12 Q9H244 1/20 0.39
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAPK8 P45983 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 4/20 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
SCHEMBL9920090 0.91 P2RY12 (0.48) RAB9APPARGRXFP1NR2E3NCOR2
SCHEMBL9922338 0.86 P2RY12 (0.39) PPARGP2RY12MAPTCA12CA9
SCHEMBL14228643 0.84 PPARG (0.41) RAB9APPARGRXFP1NR2E3NCOR2
SCHEMBL14228568 0.83 P2RY12 (0.39) PPARGP2RY12CA12CA9CA1
SCHEMBL14113531 0.83 P2RY12 (0.39) RAB9APPARGRXFP1NR2E3NCOR2
SCHEMBL4687896 0.82 P2RY12 (0.45) PPARGRXFP1P2RY12MAPTCA12
SCHEMBL9922795 0.82 P2RY12 (0.38) PPARGP2RY12CA12CA9CA1
SCHEMBL14357209 0.82 P2RY12 (0.55) PPARGP2RY12MAPTALDH1A1CA12
SCHEMBL14228331 0.81 P2RY12 (0.36) RAB9APPARGP2RY12SMN1; SMN2CA12
SCHEMBL12161818 0.81 P2RY12 (0.50) RAB9APPARGRXFP1NR2E3NCOR2

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