SCHEMBL20389174

SCHEMBL20389174

O=C(NCc1cn[nH]c1)Nc1ccc(SNc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 19/20 0.70
▸ ROCK2 O75116 1/20 0.54

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 0.87 NAMPT (0.69) NAMPTROCK2
SCHEMBL20389057 0.84 NAMPT (0.65) NAMPT
SCHEMBL29882455 0.82 NAMPT (1.00) NAMPT
SCHEMBL20379335 0.82 NAMPT (1.00) NAMPT
SCHEMBL20389432 0.82 NAMPT (0.69) NAMPTROCK2
SCHEMBL20389130 0.81 NAMPT (0.69) NAMPTROCK2
SCHEMBL23431947 0.80 NAMPT (0.77) NAMPTROCK2
SCHEMBL20380166 0.78 NAMPT (1.00) NAMPT
SCHEMBL29881567 0.78 NAMPT (1.00) NAMPT
SCHEMBL20379805 0.77 NAMPT (0.65) 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
Send feedback