SCHEMBL31507575

SCHEMBL31507575

CCOC(=O)c1nn(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)c2)c2ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.42
▸ MAP3K14 Q99558 16/20 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
SCHEMBL30667972 1.00 ELANE (0.42) ELANEMAP3K14
SCHEMBL31507534 0.92 MAP3K14 (0.45) ELANEMAP3K14
SCHEMBL30668026 0.92 MAP3K14 (0.45) ELANEMAP3K14
SCHEMBL30667739 0.91 MAP3K14 (0.52) MAP3K14
SCHEMBL31507461 0.91 MAP3K14 (0.52) MAP3K14
SCHEMBL31507608 0.90 MAP3K14 (0.40) MAP3K14
SCHEMBL30667932 0.90 MAP3K14 (0.40) MAP3K14
SCHEMBL26684095 0.90 MAP3K14 (0.44) MAP3K14
SCHEMBL30667836 0.82 NPC1 (0.39) MAP3K14
SCHEMBL31507482 0.82 NPC1 (0.39) MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 — — CN disclosed
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