SCHEMBL10616331

SCHEMBL10616331

NNc1c(F)c(F)c(Cl)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
KDM4E B2RXH2 1/20 0.31
GAA P10253 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
SCHEMBL10460550 0.89 CA12 (0.38) CA12CA1CA2CA7CA13
SCHEMBL10618055 0.82 CA12 (0.36) CA12CA1CA2CA7CA13
SCHEMBL187613 0.81 CA1 (0.55) CA12CA1CA2CA7CA13
Hydrochloric Acid SCHEMBL4349881 0.78 CA1 (0.52) CA12CA1CA2CA7CA13
SCHEMBL8059165 0.75 CA1 (0.50) CA12CA1CA2CA7CA13
SCHEMBL4345041 0.73 CES2 (0.33)
SCHEMBL4907726 0.71 CA1 (0.46) CA12CA1CA2CA7CA13
SCHEMBL4343529 0.71 CA12 (0.46) CA12CA1CA2CA7CA13
SCHEMBL5513979 0.71 CA12 (0.46) CA12CA1CA2CA7CA13
SCHEMBL7713306 0.69 CA12 (0.32) CA12CA1CA2CA7CA13

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1442409-A 1-per (poly) fluorophenyl-3,5-disubstituted-4,5-dihydrogen pyrazole derivative, its preparation method and application SHANGHAI INST ORGANIC CHEM (CN) 2003-09-17 CN disclosed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US disclosed
US-4459150-A 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides MAY & BAKER LIMITED (GB) 1984-07-10 US disclosed
EP-0083613-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES. MAY & BAKER LTD (GB) 1983-07-20 EP disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed