SCHEMBL8565002

SCHEMBL8565002

Cn1nc(-c2cc(F)ccc2F)c(Br)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
MAPK14 Q16539 2/20 0.32
LMNA P02545 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
KIF11 P52732 1/20 0.30
HSD11B1 P28845 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
SCHEMBL8588979 0.84 GABRG2 (0.38) GAADPP4DPP7DPP8MAPT
SCHEMBL8549829 0.77 GAA (0.37) GAAHSD11B1
SCHEMBL27814912 0.76 GAA (0.34) GAAHSD11B1
SCHEMBL8135469 0.74 MAPT (0.34) GAAMAPT
SCHEMBL8566536 0.74 PDE10A (0.33) GAA
SCHEMBL8569525 0.74 MAPT (0.37) GAAMAPTLMNA
SCHEMBL7162245 0.73 GAA (0.33) GAA
SCHEMBL3689455 0.72 RORC (0.36) GAA
SCHEMBL14489535 0.72 PLAU (0.33) GAAMAPTLMNA
SCHEMBL14039563 0.71 ALDH1A1 (0.47) MAPTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553307-B1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO CO (US) 1998-12-09 EP disclosed
EP-0846105-A1 HERBICIDAL SUBSTITUTED 3-ARYL-PYRAZOLES MONSANTO COMPANY (US) 1998-06-10 EP disclosed
US-5675017-A REACTING VINY ETHER DERIVATIVE WITH HYDRZINE OR SUBSTITUTED HYDRAZINE TO FORM A CHEMICAL INTERMEDIATE, REACTING INTERMEDIATE WITH SUBSTITUTED HALIDE OR DIALKYL SULFATE MONSANTO COMPANY (US) 1997-10-07 US disclosed
US-5672715-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-30 US disclosed
US-5668088-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-16 US disclosed
EP-0791571-A1 Benzoyl derivatives MONSANTO COMPANY (US) 1997-08-27 EP disclosed
WO-1996040643-A1 HERBICIDAL SUBSTITUTED 3-ARYL-PYRAZOLES MONSANTO COMPANY (US) 1996-12-19 WO disclosed
US-5536700-A Herbicidal compositions comprising aryl-5-haloalkylpyrazoles and glyphosate, it's salts, diquat or paraquat MONSANTO COMPANY (US) 1996-07-16 US disclosed
US-5530126-A ALKYLATION IN INERT SOLVENT MONSANTO COMPANY (US) 1996-06-25 US disclosed
US-5496956-A BY ESTERIFICATION OF CARBOXY SUBSTITUTION WITH ALCOHOLS IN THE PRESENCE OF MINERAL ACID MONSANTO COMPANY (US) 1996-03-05 US disclosed
US-5489571-A CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS MONSANTO COMPANY (US) 1996-02-06 US disclosed
CN-1030595-C Substituted aryl-haloalkyl-pyrazoles as herbicides MONSANTO CO (US) 1996-01-03 CN disclosed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US disclosed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP disclosed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 WO disclosed