SCHEMBL13638640

SCHEMBL13638640

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3C)cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.38
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 6/20 0.34
CA9 Q16790 6/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK14 Q16539 6/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL9923003 0.93 P2RY12 (0.46) P2RY12BTKMEN1KMT2ACA12
SCHEMBL14228581 0.92 P2RY12 (0.42) P2RY12BRD4CREBBPBTKMEN1
SCHEMBL13638635 0.89 P2RY12 (0.37) P2RY12BRD4CREBBPBTKCA12
SCHEMBL12177675 0.85 P2RY12 (0.41) P2RY12BRD4CREBBPBTKMEN1
SCHEMBL9923194 0.85 P2RY12 (0.47) P2RY12MEN1KMT2ACA12CA9
SCHEMBL9922343 0.83 P2RY12 (0.51) P2RY12BTKMEN1KMT2AMAPT
SCHEMBL14228651 0.83 P2RY12 (0.39) P2RY12BTKMEN1KMT2ACA12
SCHEMBL13638378 0.83 P2RY12 (0.36) P2RY12BRD4CREBBPBTKMEN1
SCHEMBL9923187 0.83 P2RY12 (0.37) P2RY12BRD4CREBBPBTKMEN1
SCHEMBL12177093 0.82 P2RY12 (0.37) P2RY12BRD4CREBBPBTKMEN1

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