SCHEMBL30899572

SCHEMBL30899572

COC(=O)C1(C(F)(F)F)CC(c2cc(N)c(F)cc2Cl)=NO1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ F10 P00742 3/20 0.33
▸ RET P07949 1/20 0.33
▸ KIF5B P33176 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CCDC6 Q16204 1/20 0.33
▸ ALPL P05186 1/20 0.32
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ F2 P00734 2/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RORC P51449 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
SCHEMBL22714381 1.00 CA1 (0.37) CA1CA2F10RETKIF5B
SCHEMBL25061728 0.89 SMN1; SMN2 (0.34) CA1CA2F10F2HPGD
SCHEMBL22714335 0.84 CA1 (0.35) CA1CA2ITGB1ITGA4
SCHEMBL30899567 0.84 CA1 (0.35) CA1CA2ITGB1ITGA4
SCHEMBL30899555 0.83 CA1 (0.34) CA1CA2
SCHEMBL22714344 0.83 CA1 (0.34) CA1CA2
SCHEMBL22714416 0.83 CA1 (0.34) CA1CA2F10RETKIF5B
SCHEMBL30899561 0.83 CA1 (0.34) CA1CA2F10RETKIF5B
SCHEMBL22714485 0.79 CA1 (0.32) CA1CA2
SCHEMBL29438155 0.79 CA1 (0.32) CA1CA2

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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