SCHEMBL28111937

SCHEMBL28111937

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

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.79
TDP1 Q9NUW8 1/20 0.65
CYP2C9 P11712 1/20 0.64

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
SCHEMBL28111903 0.91 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL28112449 0.91 NAMPT (0.80) NAMPT
SCHEMBL162432 0.89 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL14324287 0.88 NAMPT (0.93) NAMPTTDP1CYP2C9
SCHEMBL28112350 0.87 NAMPT (0.77) NAMPT
SCHEMBL165598 0.87 NAMPT (1.00) NAMPT
SCHEMBL165317 0.86 NAMPT (0.90) NAMPTCYP2C9
SCHEMBL28836677 0.86 NAMPT (0.75) NAMPT
SCHEMBL29635858 0.85 NAMPT (0.89) NAMPT
SCHEMBL167912 0.85 NAMPT (0.89) NAMPT

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