SCHEMBL30899560

SCHEMBL30899560

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.40
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ ITGB1 P05556 3/20 0.33
▸ ITGA4 P13612 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ NOS2 P35228 1/20 0.31
▸ OPRM1 P35372 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
SCHEMBL22714488 1.00 F10 (0.40) F10CA1CA2HTR4ITGB1
SCHEMBL30728606 0.90 CA1 (0.39) F10CA1CA2ITGB1ITGA4
SCHEMBL21635542 0.90 CA1 (0.39) F10CA1CA2ITGB1ITGA4
SCHEMBL29769188 0.90 CA1 (0.39) F10CA1CA2ITGB1ITGA4
SCHEMBL29769216 0.90 CA1 (0.39) F10CA1CA2ITGB1ITGA4
SCHEMBL23246113 0.90 CA1 (0.39) F10CA1CA2ITGB1ITGA4
SCHEMBL22714399 0.85 F10 (0.39) F10CA1CA2ITGB1ITGA4
SCHEMBL30899566 0.85 F10 (0.39) F10CA1CA2ITGB1ITGA4
SCHEMBL22714402 0.83 CA1 (0.33) F10CA1CA2ITGB1ITGA4
SCHEMBL30899558 0.83 NPC1 (0.37) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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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