SCHEMBL13638559

SCHEMBL13638559

Cc1nc2cc3c(cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)C2=CCC(C)S2)cc1F)CCN3

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPD P32754 5/20 0.34
GLA P06280 1/20 0.34
MAPK14 Q16539 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PDE7A Q13946 1/20 0.31
P2RY12 Q9H244 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL12177258 0.93 HPD (0.34) HPDGLAMAPK14KMT2AMEN1
SCHEMBL13638385 0.84 GLA (0.36) HPDGLAKMT2AMEN1P2RY12
SCHEMBL9922166 0.83 P2RY12 (0.48) HPDGLAMAPK14KMT2AMEN1
SCHEMBL13638585 0.82 TERT (0.35) HPDGLAKMT2AMEN1L3MBTL1
SCHEMBL14113598 0.79 MAPK14 (0.31) MAPK14
SCHEMBL13638648 0.78 GLA (0.48) HPDGLAKMT2AL3MBTL1MAPT
SCHEMBL14228483 0.76 GLA (0.35) HPDGLAKMT2AMEN1P2RY12
SCHEMBL14228334 0.73 TERT (0.39)
SCHEMBL13638542 0.73 PPARG (0.39) P2RY12MAPTLMNATP53
SCHEMBL14228338 0.72 TSHR (0.40) L3MBTL1MAPTLMNA

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