SCHEMBL29258251

SCHEMBL29258251

NC(=O)/C=C/c1ccncc1.O=C(NCc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ROCK2 O75116 2/20 0.46
▸ RPS6KA5 O75582 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ PRKACA P17612 1/20 0.46

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
SCHEMBL29258277 0.88 SMN1; SMN2 (0.57) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL29258544 0.88 NPC1 (0.57) MEN1KMT2AROCK2RPS6KA5MAP4K4
SCHEMBL29258169 0.87 SMN1; SMN2 (0.47) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL29258229 0.85 HDAC1 (0.50) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL29258129 0.85 AKR1C3 (0.49) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL29258268 0.85 LMNA (0.51) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL29258255 0.85 MMP13 (0.52) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL29258227 0.85 MMP13 (0.65) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL29258211 0.84 SMN1; SMN2 (0.54) MEN1KMT2ALMNAROCK2MAPK1
SCHEMBL29258571 0.84 AKR1C3 (0.60) HDAC1HDAC4HDAC7HDAC11HDAC8

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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