SCHEMBL15530643

SCHEMBL15530643

O=C(NCc1cccnc1)Nc1ccc([S+]([O-])N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.60
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL15530430 0.92 NAMPT (0.61) NAMPT
SCHEMBL15530680 0.89 NAMPT (0.55) NAMPT
SCHEMBL15530331 0.86 NAMPT (0.56) NAMPT
SCHEMBL12503697 0.85 NAMPT (0.77) NAMPT
SCHEMBL29635734 0.85 NAMPT (0.77) NAMPT
SCHEMBL15530734 0.85 NAMPT (0.76) NAMPTKDM4E
SCHEMBL15531122 0.85 NAMPT (0.53) NAMPT
SCHEMBL15530845 0.82 NAMPT (0.66) NAMPTPOLB
SCHEMBL15530163 0.81 NAMPT (0.58) NAMPTPOLB
SCHEMBL27920060 0.80 NAMPT (0.60) 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