SCHEMBL255593

SCHEMBL255593

O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCOCC3CCC32)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.75
CYP2C9 P11712 4/20 0.73

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
SCHEMBL165010 0.86 NAMPT (1.00) NAMPT
SCHEMBL29635692 0.86 NAMPT (1.00) NAMPT
SCHEMBL162602 0.84 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL164505 0.82 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL29635831 0.81 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL161598 0.81 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL165297 0.81 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL174294 0.81 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL164817 0.80 NAMPT (0.84) NAMPTCYP2C9
SCHEMBL163838 0.79 NAMPT (1.00) NAMPTCYP2C9

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-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed