SCHEMBL29258159

SCHEMBL29258159

Cc1ccccc1CNC(=O)c1ccccc1.NC(=O)/C=C/c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ NAMPT P43490 1/20 0.53
▸ CA2 P00918 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ HTT P42858 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ ROCK2 O75116 2/20 0.46
▸ SCN2A Q99250 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ MAPK1 P28482 2/20 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

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
SCHEMBL29258188 0.87 KMT2A (0.67) HPGDALDH1A1LMNAKMT2AHTT
SCHEMBL29258211 0.87 SMN1; SMN2 (0.54) KDM4ELMNAMAPTKMT2AROCK2
SCHEMBL29258199 0.87 NAMPT (0.53) HPGDALDH1A1NAMPTLMNAKMT2A
SCHEMBL29258215 0.86 HDAC1 (0.58) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL29258571 0.84 AKR1C3 (0.60) HPGDKDM4EKMT2AHTTROCK2
SCHEMBL29258321 0.83 AKR1C3 (0.50) HPGDALDH1A1KDM4EMAPTKMT2A
SCHEMBL30780061 0.82 HPGD (0.77) HPGDALDH1A1NAMPTCA2KDM4E
SCHEMBL1568387 0.82 HPGD (0.77) HPGDALDH1A1NAMPTCA2KDM4E
SCHEMBL29258255 0.81 MMP13 (0.52) NAMPTKDM4ELMNAHTTROCK2
SCHEMBL29258227 0.81 MMP13 (0.65) CA2LMNAHTTROCK2MAPK14

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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