SCHEMBL15530845

SCHEMBL15530845

O=C(NCc1cccnc1)Nc1ccc([S+]([O-])N2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.66
CYP2C9 P11712 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.58

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
SCHEMBL15530163 0.92 NAMPT (0.58) NAMPTCYP2C9MEN1KMT2APOLB
SCHEMBL15530688 0.89 NAMPT (0.65) NAMPTPOLB
SCHEMBL15530177 0.89 NAMPT (0.71) NAMPTCYP2C9
SCHEMBL15530536 0.88 NAMPT (0.67) NAMPTPOLB
SCHEMBL15531121 0.85 NAMPT (0.70) NAMPTPOLB
SCHEMBL15530551 0.84 NAMPT (0.74) NAMPT
SCHEMBL15530430 0.84 NAMPT (0.61) NAMPTCYP2C9
SCHEMBL15530664 0.84 NAMPT (0.72) NAMPTCYP2C9
SCHEMBL10290830 0.83 POLB (0.71) NAMPTCYP2C9MEN1KMT2APOLB
SCHEMBL15529861 0.83 NAMPT (0.83) NAMPTCYP2C9MEN1KMT2A

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