SCHEMBL15530812

SCHEMBL15530812

CCOc1ccc(Cl)cc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cc(OC(F)(F)F)ccc2Cl)cc1)c1cnc2nccn2c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.53

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
SCHEMBL173353 0.91 NAMPT (0.63) NAMPT
SCHEMBL12466950 0.90 NAMPT (0.64) NAMPT
SCHEMBL173478 0.87 NAMPT (0.61) NAMPT
SCHEMBL12468020 0.85 NAMPT (0.61) NAMPT
SCHEMBL158451 0.84 NAMPT (0.64) NAMPT
SCHEMBL15530320 0.83 NAMPT (0.65) NAMPT
SCHEMBL16108218 0.83 NAMPT (0.65) NAMPT
SCHEMBL174381 0.81 NAMPT (0.74) NAMPT
SCHEMBL15531619 0.81 NAMPT (0.58) NAMPT
SCHEMBL16108185 0.81 NAMPT (0.62) 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
WO-2013170191-A1 METHODS OF USING ANTAGONISTS OF NAD BIOSYNTHESIS FROM NICOTINAMIDE GENENTECH, INC. (US) 2013-11-14 WO disclosed