SCHEMBL29258310

SCHEMBL29258310

NC(=O)/C=C/c1ccncc1.O=C(NCc1ccc(F)cc1F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ NCOR2 Q9Y618 3/20 0.49
▸ GSK3B P49841 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NAMPT P43490 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL29258236 0.92 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2GSK3B
SCHEMBL29258199 0.89 NAMPT (0.53) HDAC3HDAC1HDAC2NCOR2GSK3B
SCHEMBL29258289 0.85 L3MBTL1 (0.63) HDAC3HDAC1HDAC2NCOR2GSK3B
SCHEMBL29258530 0.84 ROCK2 (0.51) HDAC3HDAC1HDAC2NCOR2GSK3B
SCHEMBL29258693 0.84 AURKA (0.57) HDAC3HDAC1HDAC2NCOR2GSK3B
SCHEMBL29258309 0.83 HTT (0.45) HDAC3HDAC1HDAC2NCOR2GSK3B
SCHEMBL29258229 0.82 HDAC1 (0.50) HDAC3HDAC1HDAC2NCOR2GSK3B
SCHEMBL29258184 0.82 KMT2A (0.53) HDAC3HDAC1HDAC2GSK3BLMNA
SCHEMBL29258188 0.81 KMT2A (0.67) HDAC3HDAC1HDAC2GSK3BLMNA
SCHEMBL29258211 0.81 SMN1; SMN2 (0.54) L3MBTL1LMNAKMT2AMEN1ROCK2

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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