SCHEMBL29258510

SCHEMBL29258510

NC(=O)/C=C/c1ccncc1.O=C(NCc1cccc(Br)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP1 Q9P0U3 4/20 0.55
▸ AKR1C3 P42330 1/20 0.49
▸ ROCK2 O75116 3/20 0.48
▸ ROCK1 Q13464 3/20 0.48
▸ RPS6KA5 O75582 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ PRKX P51817 1/20 0.48
▸ PRKCD Q05655 1/20 0.48
▸ PRKG2 Q13237 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ PRKG1 Q13976 1/20 0.48
▸ PKN2 Q16513 1/20 0.48
▸ CDC42BPA Q5VT25 1/20 0.48

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
SCHEMBL29258810 0.92 AKR1C3 (0.53) SENP1AKR1C3ROCK2ROCK1RPS6KA5
SCHEMBL29258321 0.88 AKR1C3 (0.50) SENP1AKR1C3ROCK2ROCK1RPS6KA5
SCHEMBL29258637 0.88 AKR1C3 (0.54) SENP1AKR1C3ROCK2ROCK1RPS6KA5
SCHEMBL29258544 0.88 NPC1 (0.57) SENP1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL29258129 0.88 AKR1C3 (0.49) SENP1AKR1C3ROCK2ROCK1RPS6KA5
SCHEMBL29258530 0.88 ROCK2 (0.51) SENP1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL29258169 0.85 SMN1; SMN2 (0.47) AKR1C3ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL29258250 0.84 KMT2A (0.53) SENP1AKR1C3ROCK2ROCK1RPS6KA5
SCHEMBL29258184 0.84 KMT2A (0.53) SENP1AKR1C3ROCK2ROCK1RPS6KA5
SCHEMBL29258390 0.84 KMT2A (0.51) SENP1AKR1C3ROCK2ROCK1RPS6KA5

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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