SCHEMBL15530533

SCHEMBL15530533

CCOCc1ccc([S+]([O-])c2ccc(NC(=O)NCc3cccnc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.77
▸ POLB P06746 1/20 0.64
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 2/20 0.56

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
SCHEMBL168019 0.87 NAMPT (1.00) NAMPT
SCHEMBL15530100 0.84 NAMPT (0.71) NAMPTPOLBKMT2AMEN1
SCHEMBL22392285 0.83 NAMPT (0.75) NAMPTPOLBKMT2AMEN1
SCHEMBL163163 0.83 NAMPT (0.74) NAMPTPOLBKMT2AMEN1
SCHEMBL10290830 0.83 POLB (0.71) NAMPTPOLBKMT2AMEN1
SCHEMBL15530415 0.82 NAMPT (0.77) NAMPTPOLBKMT2AMEN1
SCHEMBL15531263 0.80 NAMPT (0.67) NAMPTPOLBKMT2AMEN1
SCHEMBL15530182 0.78 NAMPT (0.65) NAMPTPOLBKMT2AMEN1
SCHEMBL15530502 0.77 NAMPT (0.77) NAMPTPOLBKMT2AMEN1
SCHEMBL15531319 0.77 NAMPT (0.74) NAMPTPOLBKMT2AMEN1

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
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