SCHEMBL13638385

SCHEMBL13638385

CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)C4=CCC(C)S4)cc3F)c(C)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
HPD P32754 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 3/20 0.32
NOD1 Q9Y239 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
P2RY12 Q9H244 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL13638585 0.92 TERT (0.35) GLAHPDMEN1KMT2AL3MBTL1
SCHEMBL13638542 0.89 PPARG (0.39) PPARGNOD1P2RY12
SCHEMBL14228483 0.87 GLA (0.35) GLAHPDMEN1KMT2AL3MBTL1
SCHEMBL13638559 0.84 HPD (0.34) GLAHPDMEN1KMT2AL3MBTL1
SCHEMBL9923210 0.83 P2RY12 (0.40) GLAHPDMEN1KMT2AL3MBTL1
SCHEMBL14228334 0.82 TERT (0.39)
SCHEMBL9923213 0.81 P2RY12 (0.49) GLAHPDMEN1KMT2AL3MBTL1
SCHEMBL14228338 0.81 TSHR (0.40) L3MBTL1ALDH1A1
SCHEMBL13638648 0.81 GLA (0.48) GLAHPDKMT2AL3MBTL1PPARG
SCHEMBL14113540 0.81 PPARG (0.40) PPARGP2RY12ALDH1A1

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