SCHEMBL23320481

SCHEMBL23320481

O=C(O)Cn1c(-c2ccccc2)cc2cc(NC(=O)NCc3ccncc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.57
▸ ROCK2 O75116 1/20 0.56
▸ ROCK1 Q13464 1/20 0.56
▸ HTT P42858 1/20 0.54
▸ IMPDH2 P12268 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL23320504 0.91 NAMPT (0.54) NAMPTROCK2ROCK1HTTIMPDH2
SCHEMBL23320506 0.90 ROCK2 (0.57) NAMPTROCK2ROCK1L3MBTL1
SCHEMBL30943269 0.87 NAMPT (0.54) NAMPTROCK2ROCK1HTTIMPDH2
SCHEMBL24042574 0.87 NAMPT (0.54) NAMPTROCK2ROCK1HTTIMPDH2
SCHEMBL30943163 0.86 NAMPT (0.59) NAMPTROCK2ROCK1HTTIMPDH2
SCHEMBL23320580 0.86 NAMPT (0.59) NAMPTROCK2ROCK1HTTIMPDH2
SCHEMBL23320508 0.82 ALDH1A1 (0.50) NAMPTROCK2ROCK1HTTL3MBTL1
SCHEMBL24042599 0.82 NAMPT (0.44) NAMPTROCK2ROCK1HTTIMPDH2
SCHEMBL23320514 0.82 NAMPT (0.55) NAMPTROCK2ROCK1HTTIMPDH2
SCHEMBL23320503 0.82 NAMPT (0.55) NAMPTROCK2ROCK1HTTIMPDH2

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
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
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