SCHEMBL30899556

SCHEMBL30899556

CCOC(=O)C1(C)CC(c2cc(N=C=O)c(Cl)cc2Cl)=NO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ ITGB1 P05556 3/20 0.31
▸ ITGA4 P13612 3/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ SSTR5 P35346 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
SCHEMBL22714402 1.00 CA1 (0.33) CA1CA2ITGB1ITGA4SMN1; SMN2
SCHEMBL29438165 0.91 CA1 (0.37) CA1CA2ITGB1ITGA4SSTR5
SCHEMBL22714378 0.91 CA1 (0.37) CA1CA2ITGB1ITGA4SSTR5
SCHEMBL29438163 0.91 CA1 (0.37) CA1CA2ITGB1ITGA4SSTR5
SCHEMBL30899568 0.88 MAPK1 (0.37) CA1CA2ITGB1ITGA4SMN1; SMN2
SCHEMBL22714354 0.88 MAPK1 (0.37) CA1CA2ITGB1ITGA4SMN1; SMN2
SCHEMBL22714488 0.83 F10 (0.40) CA1CA2ITGB1ITGA4SMN1; SMN2
SCHEMBL30899560 0.83 F10 (0.40) CA1CA2ITGB1ITGA4SMN1; SMN2
SCHEMBL22714362 0.79 NPC1 (0.37) SMN1; SMN2
SCHEMBL30899558 0.79 NPC1 (0.37) SMN1; SMN2

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-113874368-B Herbicidal compounds 先正达农作物保护股份公司 2024-03-08 — — CN disclosed
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