SCHEMBL13638370

SCHEMBL13638370

CNC(=N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.34
MAPK14 Q16539 4/20 0.33
F9 P00740 3/20 0.33
F10 P00742 3/20 0.33
BTK Q06187 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC2A1 P11166 2/20 0.32
ATM Q13315 1/20 0.32
NAMPT P43490 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
SCHEMBL9922129 0.92 P2RY12 (0.47) P2RY12ESR1ESR2GAAPPARG
SCHEMBL12177099 0.90 P2RY12 (0.34) P2RY12BTKSMN1; SMN2SLC2A1
SCHEMBL9923183 0.88 P2RY12 (0.38) P2RY12MAPK14BTKNPC1RAB9A
SCHEMBL12177198 0.85 P2RY12 (0.45) P2RY12PPARG
SCHEMBL14228568 0.85 P2RY12 (0.39) P2RY12PPARGF10NAMPT
SCHEMBL14228643 0.84 PPARG (0.41) P2RY12ESR1ESR2GAAPPARG
SCHEMBL12177640 0.84 ESR1 (0.39) P2RY12ESR1ESR2GAAPPARG
SCHEMBL13638647 0.83 P2RY12 (0.39) P2RY12ESR1ESR2PPARGNPC1
SCHEMBL13638369 0.83 ESR1 (0.38) P2RY12ESR1ESR2GAAPPARG
SCHEMBL13638645 0.83 P2RY12 (0.43) P2RY12ESR1ESR2PPARGMAPK14

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