SCHEMBL20389130

SCHEMBL20389130

O=C(NCc1cn[nH]c1)Nc1ccc(SNCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 18/20 0.69
▸ ROCK2 O75116 1/20 0.69
▸ NPC1 O15118 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RAB9A P51151 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
SCHEMBL20389118 0.89 NAMPT (0.69) NAMPTROCK2
SCHEMBL20389432 0.89 NAMPT (0.69) NAMPTROCK2
SCHEMBL23431947 0.87 NAMPT (0.77) NAMPTROCK2
SCHEMBL20388984 0.84 ROCK2 (0.68) NAMPTROCK2
SCHEMBL13373356 0.82 ROCK2 (0.74) NAMPTROCK2
SCHEMBL20389132 0.82 NAMPT (1.00) NAMPTROCK2
SCHEMBL3249722 0.81 ROCK2 (1.00) NAMPTROCK2
SCHEMBL20389057 0.81 NAMPT (0.65) NAMPT
SCHEMBL20389005 0.81 NAMPT (0.73) NAMPTROCK2
SCHEMBL20389174 0.81 NAMPT (0.70) NAMPTROCK2

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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