SCHEMBL13638632

SCHEMBL13638632

CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3F)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIT P10721 2/20 0.35
CA12 O43570 5/20 0.34
CA9 Q16790 5/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TP53 P04637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
IDH1 O75874 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
SCHEMBL13638633 0.93 P2RY12 (0.39) P2RY12MEN1KMT2AKITCA12
SCHEMBL9922990 0.91 P2RY12 (0.51) P2RY12MEN1KMT2ACA12CA9
SCHEMBL12161667 0.88 P2RY12 (0.49) P2RY12MEN1KMT2ACA12CA9
SCHEMBL9922995 0.86 P2RY12 (0.48) P2RY12MEN1KMT2A
SCHEMBL13633801 0.85 P2RY12 (0.47) P2RY12MEN1KMT2A
SCHEMBL14228344 0.85 P2RY12 (0.47) P2RY12MEN1KMT2A
SCHEMBL9922992 0.85 P2RY12 (0.47) P2RY12MEN1KMT2ACA9CA1
SCHEMBL12177675 0.84 P2RY12 (0.41) P2RY12MEN1KMT2AKITCA12
SCHEMBL9922112 0.82 P2RY12 (0.53) P2RY12MEN1KMT2ACA12CA9
SCHEMBL12177245 0.81 P2RY12 (0.38) P2RY12MEN1KMT2AKITCA12

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