SCHEMBL13638586

SCHEMBL13638586

CCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3F)c(C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPD P32754 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ELANE P08246 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KIT P10721 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 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
SCHEMBL9923210 0.94 P2RY12 (0.40) P2RY12NOD1GLAPPARGMEN1
SCHEMBL9923240 0.93 P2RY12 (0.48) P2RY12NOD1GLACYP1A2CYP2C19
SCHEMBL14113579 0.92 P2RY12 (0.39) P2RY12NOD1GLAPPARGMEN1
SCHEMBL13638561 0.90 KCNH2 (0.41) P2RY12NOD1GLA
SCHEMBL14228575 0.89 P2RY12 (0.45) P2RY12NOD1CYP1A2CYP2C19RAB9A
SCHEMBL12177370 0.88 HRH3 (0.41) P2RY12
SCHEMBL12177329 0.88 P2RY12 (0.41) P2RY12NOD1GLARAB9APPARG
SCHEMBL12177247 0.88 GLA (0.52) P2RY12NOD1GLAPPARGHPD
SCHEMBL13638587 0.88 HRH3 (0.41) P2RY12MEN1KMT2A
SCHEMBL9923213 0.88 P2RY12 (0.49) P2RY12NOD1GLAPPARGMEN1

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