SCHEMBL20388984

SCHEMBL20388984

COc1ccccc1CNSc1ccc(NC(=O)NCc2cn[nH]c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.68
▸ NAMPT P43490 16/20 0.66

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
SCHEMBL20388985 0.86 NAMPT (0.66) ROCK2NAMPT
SCHEMBL20379680 0.84 NAMPT (0.75) ROCK2NAMPT
SCHEMBL20389130 0.84 NAMPT (0.69) ROCK2NAMPT
SCHEMBL3243101 0.81 ROCK2 (1.00) ROCK2
SCHEMBL20389118 0.80 NAMPT (0.69) ROCK2NAMPT
SCHEMBL20389432 0.80 NAMPT (0.69) ROCK2NAMPT
SCHEMBL20380261 0.80 NAMPT (1.00) ROCK2NAMPT
SCHEMBL29881254 0.80 NAMPT (1.00) ROCK2NAMPT
SCHEMBL29881605 0.79 NAMPT (0.86) NAMPT
SCHEMBL20379634 0.79 NAMPT (0.86) 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-2018132372-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2018-07-19 — — WO disclosed
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