SCHEMBL24485252

SCHEMBL24485252

CCOC(=O)C1(C)CC(c2cc(-c3ncc(Br)cc3Cl)c(F)cc2Cl)=NO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ GAA P10253 1/20 0.30

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
SCHEMBL29712912 1.00 CA1 (0.36) CA1CA2ALDH1A1SSTR5HSD17B10
SCHEMBL29055114 0.93 CA1 (0.35) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29055123 0.91 CA1 (0.35) CA1CA2ALDH1A1SSTR5ITGB1
SCHEMBL29055115 0.91 CA1 (0.35) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL24485256 0.90 CA1 (0.35) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29055156 0.90 CA1 (0.33) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL24485261 0.89 SSTR5 (0.34) CA1CA2ALDH1A1SSTR5ITGB1
SCHEMBL29712903 0.89 SSTR5 (0.34) CA1CA2ALDH1A1SSTR5ITGB1
SCHEMBL29055132 0.88 CA1 (0.36) CA1CA2ALDH1A1SSTR5ITGB1
SCHEMBL24485237 0.88 MEN1 (0.42) ALDH1A1KDM4EGAA

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-116568673-A Herbicidal compounds 先正达农作物保护股份公司 2023-08-08 — — CN disclosed
WO-2022112072-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-06-02 — — WO disclosed
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