SCHEMBL15530754

SCHEMBL15530754

CCOc1cc(F)ccc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)c1ccc2nccn2c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL16108144 0.91 NAMPT (0.69) NAMPTCYP2C9
SCHEMBL159970 0.90 NAMPT (0.66) NAMPTCYP2C9
SCHEMBL12467001 0.89 NAMPT (0.62) NAMPTCYP2C9
SCHEMBL161559 0.87 NAMPT (0.71) NAMPTCYP2C9
SCHEMBL16107973 0.84 NAMPT (0.62) NAMPTCYP2C9
SCHEMBL12467941 0.84 NAMPT (0.66) NAMPTCYP2C9
SCHEMBL12468058 0.84 NAMPT (0.70) NAMPTCYP2C9
SCHEMBL174352 0.82 NAMPT (0.68) NAMPTCYP2C9
SCHEMBL171482 0.81 NAMPT (0.67) NAMPTCYP2C9
SCHEMBL173958 0.81 NAMPT (0.75) 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-2013170191-A1 METHODS OF USING ANTAGONISTS OF NAD BIOSYNTHESIS FROM NICOTINAMIDE GENENTECH, INC. (US) 2013-11-14 WO disclosed