SCHEMBL28111903

SCHEMBL28111903

C=C(C(=O)O)c1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.78
CYP2C9 P11712 1/20 0.78

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
SCHEMBL28111905 0.91 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL28111937 0.91 NAMPT (0.79) NAMPTCYP2C9
SCHEMBL161971 0.88 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL28112357 0.86 NAMPT (0.77) NAMPTCYP2C9
SCHEMBL164148 0.86 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL162297 0.86 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL163369 0.86 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL29635760 0.86 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL162016 0.85 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL22402228 0.85 NAMPT (0.84) 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