SCHEMBL874266

SCHEMBL874266

Cc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.49
KIT P10721 1/20 0.47
PPARA Q07869 3/20 0.45
HDAC1 Q13547 1/20 0.43
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MCHR1 Q99705 1/20 0.42
ATR Q13535 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL874755 0.89 NAMPT (0.47) NAMPTKITHDAC1CHRM1HTR2A
SCHEMBL874795 0.88 NAMPT (0.47) NAMPTKITHDAC1CHRM1HTR2A
SCHEMBL874813 0.87 NAMPT (0.48) NAMPTKITHDAC1MCHR1ATR
SCHEMBL875947 0.85 PPARA (0.49) NAMPTPPARAHDAC1POLB
SCHEMBL874752 0.85 NAMPT (0.52) NAMPTPPARAHDAC1MEN1POLB
SCHEMBL875381 0.83 NAMPT (0.47) NAMPTKITHDAC1CHRM1HTR2A
SCHEMBL875967 0.81 NAMPT (0.40) NAMPTKITPPARAHDAC1ATR
SCHEMBL875403 0.81 NAMPT (0.53) NAMPTKITHDAC1CHRM1HTR2A
SCHEMBL875067 0.79 NAMPT (0.44) NAMPTHDAC1ATRMEN1POLB
SCHEMBL3055571 0.79 NAMPT (0.49) NAMPTKITHDAC1CHRM1HTR2A

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