SCHEMBL29258227

SCHEMBL29258227

NC(=O)/C=C/c1ccncc1.O=C(NCc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.65
▸ MAPK1 P28482 2/20 0.62
▸ ROCK2 O75116 1/20 0.62
▸ RPS6KA5 O75582 1/20 0.62
▸ MAP4K4 O95819 1/20 0.62
▸ PRKCG P05129 1/20 0.62
▸ PRKACA P17612 1/20 0.62
▸ RPS6KB1 P23443 1/20 0.62
▸ AKT1 P31749 1/20 0.62
▸ GSK3A P49840 1/20 0.62
▸ GSK3B P49841 1/20 0.62
▸ PRKX P51817 1/20 0.62
▸ PRKCD Q05655 1/20 0.62
▸ PRKG2 Q13237 1/20 0.62
▸ ROCK1 Q13464 1/20 0.62
▸ DYRK1A Q13627 1/20 0.62
▸ PRKG1 Q13976 1/20 0.62
▸ PKN2 Q16513 1/20 0.62
▸ CDC42BPA Q5VT25 1/20 0.62
▸ CLK4 Q9HAZ1 1/20 0.62

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
SCHEMBL29258255 0.91 MMP13 (0.52) MMP13MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258277 0.90 SMN1; SMN2 (0.57) MMP13MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258289 0.90 L3MBTL1 (0.63) MMP13MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258637 0.90 AKR1C3 (0.54) MMP13MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258571 0.90 AKR1C3 (0.60) MMP13MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258612 0.87 NPC1 (0.57) MMP13ROCK2PRKACAGSK3AGSK3B
SCHEMBL29258229 0.85 HDAC1 (0.50) MMP13MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258129 0.85 AKR1C3 (0.49) MMP13MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258169 0.84 SMN1; SMN2 (0.47) MMP13MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29258810 0.84 AKR1C3 (0.53) MMP13MAPK1ROCK2RPS6KA5MAP4K4

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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