SCHEMBL3649857

SCHEMBL3649857

CNC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1Nc1cccnc1.CNC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1Nc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.51
POLB P06746 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.46

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
SCHEMBL3044701 0.97 NAMPT (0.54) NAMPTPOLBKMT2AMEN1ROCK2
SCHEMBL3054771 0.97 NAMPT (0.54) NAMPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL3044898 0.94 NAMPT (0.56) NAMPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL3050769 0.88 NAMPT (0.53) NAMPTPOLBKMT2AMEN1ROCK2
SCHEMBL3050146 0.88 NAMPT (0.56) NAMPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL3054341 0.86 POLB (0.56) NAMPTPOLBKMT2AMEN1
SCHEMBL3049962 0.85 NAMPT (0.56) NAMPTPOLBKMT2AMEN1ROCK2
SCHEMBL3041341 0.85 NAMPT (0.54) NAMPTPOLBKMT2AMEN1
SCHEMBL3054189 0.84 NAMPT (0.53) NAMPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL3054897 0.84 NAMPT (0.52) NAMPTPOLBKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP claimed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO claimed