SCHEMBL28112385

SCHEMBL28112385

O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(C(=O)N=[N+]=NC3CCCC3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.65
CYP2C9 P11712 1/20 0.59

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
SCHEMBL28112382 0.85 NAMPT (0.68) NAMPTCYP2C9
SCHEMBL166135 0.82 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL164497 0.80 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL163061 0.80 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL163936 0.80 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL164044 0.78 NAMPT (0.81) NAMPTCYP2C9
SCHEMBL164452 0.77 NAMPT (0.84) NAMPTCYP2C9
SCHEMBL28111905 0.77 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL162810 0.77 NAMPT (0.81) NAMPTCYP2C9
SCHEMBL22402237 0.77 NAMPT (0.80) 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
CN-103270023-B 4- { [ (pyridin-3-yl-methyl) aminocarbonyl ] amino } benzene-sulfone derivatives as NAMPT inhibitors for the treatment of diseases such as cancer 福马TM有限责任公司 2016-11-02 CN claimed