SCHEMBL31507534

SCHEMBL31507534

CCOC(=O)c1nn(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)c2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 13/20 0.45
▸ ADORA1 P30542 1/20 0.39
▸ ELANE P08246 5/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL30668026 1.00 MAP3K14 (0.45) MAP3K14ADORA1ELANECA1CA2
SCHEMBL30667972 0.92 ELANE (0.42) MAP3K14ELANE
SCHEMBL31507575 0.92 ELANE (0.42) MAP3K14ELANE
SCHEMBL31507461 0.91 MAP3K14 (0.52) MAP3K14
SCHEMBL30667739 0.91 MAP3K14 (0.52) MAP3K14
SCHEMBL31507608 0.89 MAP3K14 (0.40) MAP3K14
SCHEMBL30667932 0.89 MAP3K14 (0.40) MAP3K14
SCHEMBL26684440 0.89 MAP3K14 (0.49) MAP3K14
SCHEMBL30668012 0.88 MAP3K14 (0.58) MAP3K14
SCHEMBL31507482 0.84 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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