SCHEMBL15530415

SCHEMBL15530415

CC(C)Oc1ccc([S+]([O-])c2ccc(NC(=O)NCc3cccnc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.77
▸ POLB P06746 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ KMT2A Q03164 4/20 0.59
▸ 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
SCHEMBL164020 0.87 NAMPT (1.00) NAMPT
SCHEMBL12503651 0.84 NAMPT (0.84) NAMPT
SCHEMBL22392285 0.83 NAMPT (0.75) NAMPTPOLBKMT2AMEN1
SCHEMBL163163 0.83 NAMPT (0.74) NAMPTPOLBKMT2AMEN1
SCHEMBL10290830 0.83 POLB (0.71) NAMPTPOLBKMT2AMEN1
SCHEMBL15530100 0.82 NAMPT (0.71) NAMPTPOLBKMT2AMEN1
SCHEMBL15530533 0.82 NAMPT (0.77) NAMPTPOLBKMT2AMEN1
SCHEMBL161912 0.80 NAMPT (1.00) NAMPT
SCHEMBL20379359 0.79 NAMPT (0.85) NAMPTPOLBKMT2AMEN1
SCHEMBL15310899 0.78 NAMPT (0.77) 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
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