SCHEMBL875705

SCHEMBL875705

CCCn1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)cc1C(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.47
HDAC1 Q13547 4/20 0.47
CPB1 P15086 1/20 0.39
ROCK2 O75116 5/20 0.39
POLB P06746 1/20 0.38
PTK2 Q05397 1/20 0.37

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
SCHEMBL874907 0.86 NAMPT (0.47) NAMPTHDAC1
SCHEMBL875016 0.85 NAMPT (0.41) NAMPTHDAC1CPB1ROCK2
SCHEMBL874781 0.78 HDAC6 (0.48) NAMPTHDAC1CPB1ROCK2POLB
SCHEMBL875445 0.77 NAMPT (0.46) NAMPTHDAC1
SCHEMBL874894 0.76 NAMPT (0.46) NAMPTHDAC1
SCHEMBL875943 0.76 NAMPT (0.48) NAMPTHDAC1POLB
SCHEMBL875615 0.75 NAMPT (0.45) NAMPTHDAC1CPB1ROCK2
SCHEMBL875402 0.75 NAMPT (0.45) NAMPTHDAC1CPB1ROCK2
SCHEMBL3053572 0.74 NAMPT (0.48) NAMPTHDAC1ROCK2POLB
SCHEMBL875709 0.73 NAMPT (0.44) NAMPTHDAC1ROCK2

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