SCHEMBL874795

SCHEMBL874795

CCCCc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.47
KIT P10721 1/20 0.42
HDAC1 Q13547 1/20 0.40
CHRNA7 P36544 1/20 0.40
ATR Q13535 1/20 0.39
PIK3CA P42336 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL874266 0.88 NAMPT (0.49) NAMPTKITHDAC1ATRCHRM1
SCHEMBL874755 0.87 NAMPT (0.47) NAMPTKITHDAC1ATRPIK3CA
SCHEMBL875702 0.86 NAMPT (0.44) NAMPTHDAC1
SCHEMBL875577 0.85 HDAC1 (0.43) NAMPTHDAC1
SCHEMBL874813 0.83 NAMPT (0.48) NAMPTKITHDAC1CHRNA7ATR
SCHEMBL875381 0.81 NAMPT (0.47) NAMPTKITHDAC1ATRPIK3CA
SCHEMBL875967 0.79 NAMPT (0.40) NAMPTKITHDAC1ATR
SCHEMBL875403 0.78 NAMPT (0.53) NAMPTKITHDAC1ATRCHRM1
SCHEMBL874907 0.77 NAMPT (0.47) NAMPTKITHDAC1CHRNA7ATR
SCHEMBL873629 0.77 NAMPT (0.42) NAMPTCHRNA7ATR

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
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed