SCHEMBL15530851

SCHEMBL15530851

O=C(NCc1ccc([S+]([O-])N2CCCCC2)cc1)c1cc2cnccc2s1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.69
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC3 O15379 1/20 0.54
NCOR2 Q9Y618 1/20 0.54

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
SCHEMBL30167786 0.82 NAMPT (1.00) NAMPT
SCHEMBL15530852 0.82 NAMPT (1.00) NAMPT
SCHEMBL15246525 0.80 HDAC3 (0.52) NAMPTHDAC1HDAC2HDAC3
SCHEMBL15531666 0.77 NAMPT (0.69) NAMPTHDAC1HDAC2HDAC3NCOR2
SCHEMBL10280400 0.74 NAMPT (1.00) NAMPT
SCHEMBL30167834 0.74 NAMPT (1.00) NAMPT
SCHEMBL15530688 0.74 NAMPT (0.65) NAMPT
SCHEMBL15530536 0.71 NAMPT (0.67) NAMPT
SCHEMBL15246259 0.71 NAMPT (0.68) NAMPT
SCHEMBL15246210 0.71 NAMPT (0.61) 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