SCHEMBL28689652

SCHEMBL28689652

O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CCN(C(=O)c2cc(F)cc(F)c2)C3)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.68
▸ HDAC1 Q13547 5/20 0.68
▸ HDAC10 Q969S8 4/20 0.68
▸ HDAC8 Q9BY41 2/20 0.68
▸ HDAC3 O15379 1/20 0.67
▸ HDAC2 Q92769 1/20 0.67
▸ NCOR2 Q9Y618 1/20 0.67

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
SCHEMBL28675155 0.93 HDAC6 (0.66) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28678678 0.93 HDAC6 (0.73) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28666328 0.90 HDAC6 (0.80) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28672522 0.88 HDAC6 (0.63) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28667046 0.87 HDAC6 (0.67) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28680230 0.87 HDAC6 (0.70) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28661805 0.87 HDAC6 (0.73) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28667049 0.86 HDAC6 (0.67) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28665589 0.85 HDAC6 (0.70) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28689645 0.84 PTGDR2 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845522-B Aminopeptidase N inhibitor and preparation method and application thereof 山东省药学科学院 2024-05-14 — — CN claimed
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
Send feedback