SCHEMBL28667743

SCHEMBL28667743

O=C(Cn1c2c(c3ccccc31)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2)NO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PTGDR2 Q9Y5Y4 2/20 0.50
▸ F10 P00742 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ RXFP1 Q9HBX9 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
SCHEMBL28668257 0.89 PTGDR2 (0.49) MEN1MAPTKMT2APTGDR2F10
SCHEMBL28688093 0.86 PTGDR2 (0.54) PTGDR2F10CYP2C9
SCHEMBL28672524 0.86 PTGDR2 (0.65) PTGDR2F10CYP2C9
SCHEMBL28676547 0.85 HDAC6 (0.62) —
SCHEMBL28689658 0.85 PTGDR2 (0.53) PTGDR2F10CYP2C9
SCHEMBL28666341 0.81 F10 (0.55) F10
SCHEMBL28689645 0.81 PTGDR2 (0.52) PTGDR2F10CYP2C9
SCHEMBL28683412 0.81 F10 (0.53) PTGDR2F10CYP2C9
SCHEMBL28665679 0.80 PTGDR2 (0.55) PTGDR2F10CYP2C9
SCHEMBL28683406 0.79 CYP2C9 (0.65) PTGDR2CYP2C9

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-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-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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