SCHEMBL874891

SCHEMBL874891

CCNc1cc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)sc1C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.50
NAMPT P43490 6/20 0.48
IKBKB O14920 2/20 0.42
ROCK2 O75116 4/20 0.42
MAPK14 Q16539 1/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL874893 0.86 POLB (0.55) NAMPTPOLB
SCHEMBL875381 0.85 NAMPT (0.47) HDAC1NAMPTPOLB
SCHEMBL875170 0.83 HDAC1 (0.41) HDAC1NAMPTIKBKBROCK2
SCHEMBL874752 0.81 NAMPT (0.52) HDAC1NAMPTPOLBMAPT
SCHEMBL3061231 0.78 NAMPT (0.53) HDAC1NAMPTROCK2POLB
SCHEMBL874398 0.78 NAMPT (0.50) HDAC1NAMPT
SCHEMBL3053572 0.77 NAMPT (0.48) HDAC1NAMPTROCK2POLB
SCHEMBL874896 0.76 POLB (0.57) NAMPTPOLB
SCHEMBL874666 0.76 IKBKB (0.55) IKBKBPOLBMAPT
SCHEMBL882718 0.75 POLB (0.58) NAMPTROCK2POLB

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