SCHEMBL31304800

SCHEMBL31304800

C#CCNc1ccc(S(C)(=O)=O)c2c1OCC21CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL31304827 0.78 MAPT (0.31) —
SCHEMBL31363366 0.74 LRRK2 (0.34) CA12CA1CA2CA9
SCHEMBL31304886 0.74 L3MBTL1 (0.33) —
SCHEMBL29212439 0.63 CA12 (0.37) CA12CA1CA2CA9
SCHEMBL29212291 0.62 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL25033661 0.61 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL30184522 0.61 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL31634087 0.61 MAOB (0.36) CA12CA1CA2CA9
SCHEMBL23144126 0.60 CA12 (0.45) CA12CA1CA2CA9
SCHEMBL23143891 0.60 CA12 (0.49) CA12CA1CA2CA9

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
WO-2025031471-A1 NOVEL HETEROCYCLIC COMPOUND FOR REGULATING P53 FUNCTION 德睿智药(苏州)新药研发有限公司 2025-02-13 — — WO disclosed
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