SCHEMBL15530734

SCHEMBL15530734

O=C(NCc1cccnc1)Nc1ccc([S+]([O-])N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.76
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL164533 0.86 NAMPT (1.00) NAMPT
SCHEMBL15530331 0.86 NAMPT (0.56) NAMPT
SCHEMBL15530680 0.85 NAMPT (0.55) NAMPT
SCHEMBL15530643 0.85 NAMPT (0.60) NAMPTKDM4E
SCHEMBL15530430 0.85 NAMPT (0.61) NAMPT
SCHEMBL15531122 0.81 NAMPT (0.53) NAMPT
SCHEMBL27920150 0.81 NAMPT (0.76) NAMPTSMN1; SMN2
SCHEMBL15530845 0.79 NAMPT (0.66) NAMPTMEN1KMT2A
SCHEMBL15530163 0.77 NAMPT (0.58) NAMPTMEN1KMT2A
SCHEMBL15530043 0.75 NAMPT (0.72) NAMPTKMT2A

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