SCHEMBL20388988

SCHEMBL20388988

O=C(NCc1ccncc1)Nc1ccc(Sc2ccccc2Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 14/20 0.63
▸ HTT P42858 1/20 0.62
▸ ROCK2 O75116 1/20 0.60
▸ ROCK1 Q13464 1/20 0.60

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
SCHEMBL11621060 0.85 HTT (0.76) NAMPTHTTROCK2ROCK1
SCHEMBL20389277 0.83 NAMPT (0.63) NAMPTHTTROCK2ROCK1
SCHEMBL20389466 0.82 NAMPT (0.58) NAMPTHTTROCK2ROCK1
SCHEMBL20389015 0.82 NAMPT (0.65) NAMPTROCK2
SCHEMBL20389281 0.81 NAMPT (0.67) NAMPTHTTROCK2ROCK1
SCHEMBL20389187 0.81 HTT (0.64) NAMPTHTTROCK2ROCK1
SCHEMBL20389188 0.80 NAMPT (0.66) NAMPTHTTROCK2ROCK1
SCHEMBL20389213 0.78 NAMPT (0.67) NAMPTHTTROCK2ROCK1
SCHEMBL20389223 0.78 NAMPT (0.57) NAMPTHTTROCK2ROCK1
SCHEMBL11618393 0.78 NAMPT (1.00) NAMPTHTT

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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