SCHEMBL29258268

SCHEMBL29258268

NC(=O)/C=C/c1ccncc1.O=C(NCc1c(Cl)cccc1Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ MAPK1 P28482 2/20 0.46
▸ MAPK14 Q16539 2/20 0.44
▸ MMP13 P45452 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ RPS6KA5 O75582 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PRKCG P05129 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PRKX P51817 1/20 0.43
▸ PRKCD Q05655 1/20 0.43
▸ PRKG2 Q13237 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ PRKG1 Q13976 1/20 0.43
▸ PKN2 Q16513 1/20 0.43

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
SCHEMBL29258211 0.90 SMN1; SMN2 (0.54) LMNAMAPK1ROCK2SMN1; SMN2MAPT
SCHEMBL29258390 0.88 KMT2A (0.51) LMNAMAPK1MAPK14MMP13ROCK2
SCHEMBL29258309 0.88 HTT (0.45) LMNAMAPK1MAPK14MMP13ROCK2
SCHEMBL29258277 0.85 SMN1; SMN2 (0.57) LMNAMAPK1MAPK14MMP13ROCK2
SCHEMBL29258251 0.85 HDAC1 (0.47) LMNAMAPK1MAPK14MMP13ROCK2
SCHEMBL29258544 0.85 NPC1 (0.57) MAPK1MAPK14MMP13ROCK2RPS6KA5
SCHEMBL29258169 0.84 SMN1; SMN2 (0.47) LMNAMAPK1MAPK14MMP13ROCK2
SCHEMBL29258130 0.84 GRIN1 (0.48) LMNAMAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258174 0.84 ALDH1A1 (0.53) LMNAMAPK1ROCK2SMN1; SMN2MAPT
SCHEMBL29258227 0.82 MMP13 (0.65) LMNAMAPK1MAPK14MMP13ROCK2

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
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