SCHEMBL29258199

SCHEMBL29258199

NC(=O)/C=C/c1ccncc1.O=C(NCc1ccccc1F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.53
▸ KMT2A Q03164 2/20 0.48
▸ ROCK2 O75116 4/20 0.47
▸ HPGD P15428 6/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ NCOR2 Q9Y618 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
▸ MAPK1 P28482 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ GSK3A P49840 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
SCHEMBL29258310 0.89 HDAC3 (0.49) NAMPTKMT2AROCK2HPGDLMNA
SCHEMBL29258236 0.89 HDAC3 (0.49) NAMPTKMT2AROCK2HPGDLMNA
SCHEMBL29258309 0.89 HTT (0.45) NAMPTKMT2AROCK2HPGDLMNA
SCHEMBL29258211 0.87 SMN1; SMN2 (0.54) KMT2AROCK2LMNAMAPK1
SCHEMBL29258188 0.87 KMT2A (0.67) KMT2AROCK2HPGDLMNAHTT
SCHEMBL29258159 0.87 HPGD (0.62) NAMPTKMT2AROCK2HPGDLMNA
SCHEMBL29258289 0.84 L3MBTL1 (0.63) NAMPTKMT2AROCK2LMNAHTT
SCHEMBL29258229 0.84 HDAC1 (0.50) ROCK2LMNAHTTHDAC3HDAC1
SCHEMBL29258215 0.84 HDAC1 (0.58) ROCK2HPGDLMNAPOLBHTT
SCHEMBL29258693 0.83 AURKA (0.57) ROCK2LMNAHTTHDAC3HDAC1

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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