SCHEMBL874909

SCHEMBL874909

Nc1ccc(CNC(=O)Nc2ccc(-c3cc(C(=O)NCCN4CCCCC4)n(Cc4ccccn4)n3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
NAMPT P43490 6/20 0.46
ATR Q13535 5/20 0.43
HDAC1 Q13547 1/20 0.42
KIT P10721 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
JAK2 O60674 1/20 0.38

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
SCHEMBL875943 0.92 NAMPT (0.48) CHRNA7NAMPTATRHDAC1KIT
SCHEMBL874907 0.87 NAMPT (0.47) CHRNA7NAMPTATRHDAC1KIT
SCHEMBL874894 0.86 NAMPT (0.46) CHRNA7NAMPTATRHDAC1KIT
SCHEMBL875445 0.86 NAMPT (0.46) CHRNA7NAMPTATRHDAC1KIT
SCHEMBL875016 0.80 NAMPT (0.41) NAMPTATRHDAC1KITJAK2
SCHEMBL875099 0.78 NAMPT (0.53) CHRNA7NAMPTPOLB
SCHEMBL882909 0.78 NAMPT (0.49) CHRNA7NAMPTHDAC1KITMEN1
SCHEMBL875403 0.76 NAMPT (0.53) NAMPTATRHDAC1KITMEN1
SCHEMBL3051507 0.76 ATR (0.50) CHRNA7NAMPTATRHDAC1KIT
SCHEMBL3055571 0.75 NAMPT (0.49) CHRNA7NAMPTATRHDAC1KIT

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