SCHEMBL15530664

SCHEMBL15530664

O=C(NCc1cccnc1)Nc1ccc([S+]([O-])N2CCC(C(=O)N3CCOCC3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.72
CYP2C9 P11712 2/20 0.59

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
SCHEMBL161598 0.84 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL29635831 0.84 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL15530845 0.84 NAMPT (0.66) NAMPTCYP2C9
SCHEMBL15530163 0.82 NAMPT (0.58) NAMPTCYP2C9
SCHEMBL15530267 0.79 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL15530776 0.79 NAMPT (0.54) NAMPTCYP2C9
SCHEMBL27938522 0.79 NAMPT (0.72) NAMPTCYP2C9
SCHEMBL15530551 0.78 NAMPT (0.74) NAMPT
SCHEMBL15530177 0.78 NAMPT (0.71) NAMPTCYP2C9
SCHEMBL15530430 0.76 NAMPT (0.61) 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