SCHEMBL29258289

SCHEMBL29258289

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ LMNA P02545 3/20 0.55
▸ HDAC1 Q13547 5/20 0.55
▸ HDAC3 O15379 4/20 0.55
▸ HDAC2 Q92769 4/20 0.55
▸ NCOR2 Q9Y618 3/20 0.55
▸ CYP3A4 P08684 2/20 0.53
▸ MAPK14 Q16539 2/20 0.53
▸ MMP13 P45452 2/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ RPS6KA5 O75582 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PRKCG P05129 1/20 0.51
▸ PRKACA P17612 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ AKT1 P31749 1/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ PRKX P51817 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
SCHEMBL29258693 0.90 AURKA (0.57) L3MBTL1LMNAHDAC1HDAC3HDAC2
SCHEMBL29258227 0.90 MMP13 (0.65) L3MBTL1LMNAHDAC1HDAC3HDAC2
SCHEMBL29258255 0.90 MMP13 (0.52) L3MBTL1LMNAHDAC1HDAC3HDAC2
SCHEMBL29258637 0.89 AKR1C3 (0.54) L3MBTL1LMNAHDAC1HDAC3HDAC2
SCHEMBL29258277 0.89 SMN1; SMN2 (0.57) L3MBTL1LMNAHDAC1HDAC3HDAC2
SCHEMBL29258571 0.89 AKR1C3 (0.60) HDAC1HDAC3HDAC2NCOR2CYP3A4
SCHEMBL29258530 0.88 ROCK2 (0.51) L3MBTL1LMNAHDAC1HDAC3HDAC2
SCHEMBL29258229 0.88 HDAC1 (0.50) L3MBTL1LMNAHDAC1HDAC3HDAC2
SCHEMBL29258612 0.86 NPC1 (0.57) L3MBTL1LMNAHDAC1HDAC3HDAC2
SCHEMBL29258310 0.85 HDAC3 (0.49) L3MBTL1LMNAHDAC1HDAC3HDAC2

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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