SCHEMBL3700044

SCHEMBL3700044

C1CCC1.CNC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1[AsH2]

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.54
POLB P06746 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52

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
SCHEMBL3046419 0.86 NAMPT (0.57) NAMPTPOLBKMT2AMEN1
SCHEMBL3050146 0.85 NAMPT (0.56) NAMPTPOLBKMT2AMEN1
SCHEMBL3058005 0.85 NAMPT (0.54) NAMPTPOLBKMT2AMEN1
SCHEMBL3041341 0.85 NAMPT (0.54) NAMPTPOLBKMT2AMEN1
SCHEMBL3060369 0.85 NAMPT (0.55) NAMPTPOLBKMT2AMEN1
SCHEMBL3054341 0.84 POLB (0.56) NAMPTPOLBKMT2AMEN1
SCHEMBL3054771 0.84 NAMPT (0.54) NAMPTPOLBKMT2AMEN1
SCHEMBL3058618 0.84 NAMPT (0.54) NAMPTPOLBKMT2AMEN1
SCHEMBL3044691 0.84 NAMPT (0.52) NAMPTPOLBKMT2AMEN1
SCHEMBL3058853 0.83 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 disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO disclosed