SCHEMBL13638554

SCHEMBL13638554

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3F)cc(C=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 6/20 0.35
CA9 Q16790 6/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 2/20 0.32
TP53 P04637 1/20 0.32
KIT P10721 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
SCHEMBL14228250 0.92 P2RY12 (0.50) P2RY12MEN1KMT2ACA12CA9
SCHEMBL9922282 0.91 P2RY12 (0.43) P2RY12MEN1KMT2ACA12CA9
SCHEMBL9922284 0.89 P2RY12 (0.42) P2RY12MEN1KMT2ACA12CA9
SCHEMBL9922204 0.88 KMT2A (0.39) P2RY12MEN1KMT2ACA12CA9
SCHEMBL9922581 0.87 P2RY12 (0.41) P2RY12MEN1KMT2ACA12CA9
SCHEMBL9922293 0.87 P2RY12 (0.40) P2RY12MEN1KMT2ACA12CA9
SCHEMBL9922586 0.86 P2RY12 (0.40) P2RY12MEN1KMT2ACA12CA9
SCHEMBL13182775 0.86 P2RY12 (0.40) P2RY12MEN1KMT2ACA12CA9
SCHEMBL13182776 0.84 P2RY12 (0.39) P2RY12MEN1KMT2ACA12CA9
SCHEMBL14113671 0.84 P2RY12 (0.46) P2RY12MEN1KMT2ACA12CA9

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