SCHEMBL28112352

SCHEMBL28112352

CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.78
CYP2C9 P11712 1/20 0.68
KMT2A Q03164 1/20 0.65

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
SCHEMBL173847 0.89 NAMPT (0.84) NAMPTCYP2C9
SCHEMBL22402282 0.88 NAMPT (0.86) NAMPTCYP2C9
SCHEMBL165510 0.88 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL174646 0.87 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL174475 0.87 NAMPT (0.84) NAMPTCYP2C9
SCHEMBL176173 0.87 NAMPT (0.84) NAMPTCYP2C9
SCHEMBL28162252 0.86 NAMPT (0.83) NAMPTCYP2C9
SCHEMBL175668 0.86 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL29635653 0.86 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL21132371 0.86 NAMPT (0.79) 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