Sugi Predict

Sugi Predict / Compounds / SCHEMBL5716952

SCHEMBL5716952

SCHEMBL5716952

Cc1c(Cn2cc(C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)F)n2)cccc1N1C(=O)c2cccc(Cl)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 13/20 0.37
▸ GRM4 Q14833 12/20 0.37
▸ KLKB1 P03952 3/20 0.34
▸ GRM7 Q14831 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TYR P14679 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
SCHEMBL2884250 0.84 GRM4 (0.41) GRM1GRM4KLKB1GRM7
SCHEMBL2891957 0.78 GRM1 (0.41) GRM1GRM4KLKB1GRM7
SCHEMBL3819605 0.71 MEN1 (0.51) GRM1GRM4GRM7MEN1KMT2A
SCHEMBL2891716 0.67 KLKB1 (0.33) KLKB1
SCHEMBL2891718 0.67 KLKB1 (0.33) KLKB1
SCHEMBL2889967 0.67 GRM1 (0.40) GRM1GRM4GRM7
SCHEMBL2889309 0.66 GRM1 (0.41) GRM1GRM4KLKB1GRM7
SCHEMBL5429466 0.65 GRM1 (0.51) GRM1GRM4GRM7
SCHEMBL3979412 0.65 KMT2A (0.60) GRM1GRM4MEN1KMT2A
SCHEMBL1833233 0.65 ESR1 (0.36) KLKB1MEN1KMT2A

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
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 — — EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 — — WO disclosed