SCHEMBL13638377

SCHEMBL13638377

CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cc(C)c(C)s4)c(OC)n3)c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.42
FBP1 P09467 18/20 0.35
CREBBP Q92793 1/20 0.33
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31

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
SCHEMBL9922537 0.94 P2RY12 (0.45) P2RY12FBP1ERCC1FEN1ERCC4
SCHEMBL12177357 0.93 P2RY12 (0.46) P2RY12FBP1CREBBP
SCHEMBL12161657 0.89 P2RY12 (0.46) P2RY12FBP1
SCHEMBL9923177 0.89 P2RY12 (0.55) P2RY12FBP1
SCHEMBL9922981 0.88 P2RY12 (0.41) P2RY12FBP1ERCC1FEN1ERCC4
SCHEMBL12177308 0.81 EGLN3 (0.36) P2RY12ERCC1FEN1ERCC4
SCHEMBL13638381 0.81 P2RY12 (0.45) P2RY12FBP1CREBBPERCC1FEN1
SCHEMBL9922402 0.78 EGLN3 (0.40) P2RY12ERCC1FEN1ERCC4
SCHEMBL13638713 0.77 P2RY12 (0.53) P2RY12FBP1ERCC1FEN1ERCC4
SCHEMBL12161688 0.77 P2RY12 (0.48) P2RY12

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