SCHEMBL874813

SCHEMBL874813

Nc1ccc(CNC(=O)Nc2ccc(-c3nc(Nc4ccccc4)c(C(=O)NCCN4CCCCC4)s3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.48
ATR Q13535 5/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.44
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
HTR3A P46098 1/20 0.42
KIT P10721 1/20 0.41
MCHR2 Q969V1 1/20 0.40
MCHR1 Q99705 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL875067 0.92 NAMPT (0.44) NAMPTATRMEN1POLBKMT2A
SCHEMBL874755 0.89 NAMPT (0.47) NAMPTATRMEN1POLBKMT2A
SCHEMBL874266 0.87 NAMPT (0.49) NAMPTATRMEN1POLBKMT2A
SCHEMBL3051507 0.85 ATR (0.50) NAMPTATRMEN1POLBKMT2A
SCHEMBL874795 0.83 NAMPT (0.47) NAMPTATRHDAC1KITMCHR1
SCHEMBL875967 0.81 NAMPT (0.40) NAMPTATRHDAC1KIT
SCHEMBL875381 0.80 NAMPT (0.47) NAMPTATRMEN1POLBKMT2A
SCHEMBL875403 0.78 NAMPT (0.53) NAMPTATRMEN1POLBKMT2A
SCHEMBL485970 0.77 ATR (0.43) NAMPTATRMEN1POLBKMT2A
SCHEMBL485943 0.77 ATR (0.43) NAMPTATRMEN1POLBKMT2A

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