SCHEMBL28676547

SCHEMBL28676547

O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.62
▸ HDAC1 Q13547 4/20 0.62
▸ HDAC10 Q969S8 4/20 0.62
▸ HDAC8 Q9BY41 2/20 0.62
▸ HDAC3 O15379 1/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ NCOR2 Q9Y618 1/20 0.61

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
SCHEMBL28666341 0.89 F10 (0.55) —
SCHEMBL28667049 0.87 HDAC6 (0.67) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28666328 0.87 HDAC6 (0.80) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28675155 0.86 HDAC6 (0.66) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28667743 0.85 MEN1 (0.52) —
SCHEMBL28689652 0.83 HDAC6 (0.68) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28678678 0.83 HDAC6 (0.73) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28661805 0.83 HDAC6 (0.73) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28668257 0.81 PTGDR2 (0.49) —
SCHEMBL28680230 0.81 HDAC6 (0.70) HDAC6HDAC1HDAC10HDAC8HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845522-A Aminopeptidase N inhibitor and preparation method and application thereof 山东省药学科学院 2021-12-28 — — CN claimed
CN-113845522-B Aminopeptidase N inhibitor and preparation method and application thereof 山东省药学科学院 2024-05-14 — — CN disclosed
CN-113845522-A Aminopeptidase N inhibitor and preparation method and application thereof 山东省药学科学院 2021-12-28 — — CN disclosed
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