SCHEMBL8566825

SCHEMBL8566825

COc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL5398257 0.87 CYP1A2 (0.35) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL8572064 0.86 POLB (0.36) GAACYP1A2ABL1EGFRHCK
SCHEMBL8565103 0.83 MEN1 (0.37) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL8444573 0.82 AR (0.36) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL6289041 0.82 MEN1 (0.36) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL8566841 0.80 ALDH1A1 (0.35) CYP1A2MEN1CYP2C19KMT2AFGFR1
SCHEMBL6911424 0.78 MEN1 (0.33) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL6912537 0.78 MEN1 (0.33) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL8569813 0.78 ALDH1A1 (0.35) CYP1A2MEN1CYP2C19KMT2AFGFR1
SCHEMBL7609789 0.78 MEN1 (0.33) GAACYP1A2MEN1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1050121-C Process for preparing substituted aryl-halogenoalkyl pyrazoles MONSANTO CO (US) 2000-03-08 CN disclosed
EP-0553307-B1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO CO (US) 1998-12-09 EP disclosed
EP-0791571-A1 Benzoyl derivatives MONSANTO COMPANY (US) 1997-08-27 EP 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
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