SCHEMBL13638381

SCHEMBL13638381

CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cc(C)c(C)s4)cn3)c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.45
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
FBP1 P09467 17/20 0.33
CREBBP Q92793 1/20 0.32
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL9922538 0.93 P2RY12 (0.48) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL14228357 0.92 P2RY12 (0.49) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL12161654 0.88 P2RY12 (0.49) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9923176 0.88 P2RY12 (0.58) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922988 0.87 P2RY12 (0.44) P2RY12ERCC1FEN1ERCC4
SCHEMBL9922541 0.81 P2RY12 (0.52) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL13638713 0.81 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922446 0.81 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL13638377 0.81 P2RY12 (0.42) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL14228361 0.81 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4FBP1

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