SCHEMBL29258253

SCHEMBL29258253

O=C(NCc1ccncc1)Nc1ccc(C(=O)NCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.78
NAMPT P43490 16/20 0.77
ROCK2 O75116 2/20 0.74
ROCK1 Q13464 2/20 0.74
RPS6KA5 O75582 1/20 0.70
MAP4K4 O95819 1/20 0.70
PRKCG P05129 1/20 0.70
PRKACA P17612 1/20 0.70
RPS6KB1 P23443 1/20 0.70
MAPK1 P28482 1/20 0.70
AKT1 P31749 1/20 0.70
GSK3A P49840 1/20 0.70
GSK3B P49841 1/20 0.70
PRKX P51817 1/20 0.70
PRKCD Q05655 1/20 0.70
PRKG2 Q13237 1/20 0.70
DYRK1A Q13627 1/20 0.70
PRKG1 Q13976 1/20 0.70
PKN2 Q16513 1/20 0.70
CDC42BPA Q5VT25 1/20 0.70

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
SCHEMBL20379936 0.90 NAMPT (0.80) NAMPT
SCHEMBL539269 0.88 MMP13 (1.00) MMP13NAMPTROCK2ROCK1RPS6KA5
SCHEMBL20379905 0.87 NAMPT (1.00) NAMPTHTT
SCHEMBL29258723 0.86 NAMPT (0.71) NAMPT
SCHEMBL4525925 0.86 ROCK2 (1.00) NAMPTROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL20379290 0.85 NAMPT (0.88) NAMPT
SCHEMBL20379933 0.85 NAMPT (0.88) NAMPT
SCHEMBL20379630 0.85 NAMPT (0.88) NAMPT
SCHEMBL29258273 0.85 NAMPT (0.70) NAMPT
SCHEMBL20389217 0.84 NAMPT (1.00) NAMPTROCK2ROCK1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN claimed
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN disclosed