SCHEMBL6911403

SCHEMBL6911403

C#CCN1C(=O)COc2cc(F)c(-c3nn(C)c(C(F)(F)F)c3Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.33
SLC5A2 P31639 4/20 0.33
CHRM1 P11229 2/20 0.33
EGFR P00533 2/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
PTAFR P25105 1/20 0.32
KMO O15229 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
SCHEMBL8570945 0.96 SLC5A1 (0.33) SLC5A1SLC5A2CHRM1EGFRPTAFR
SCHEMBL7749160 0.82 PGR (0.32) SLC5A1SLC5A2CHRM1
SCHEMBL6719202 0.81 EGFR (0.34) SLC5A1SLC5A2EGFRPTAFR
SCHEMBL27312588 0.80
SCHEMBL7670107 0.79 EGFR (0.34) EGFR
SCHEMBL8192258 0.79 CHRM1 (0.33) CHRM1EGFRCHRM5CHRM3
SCHEMBL26001237 0.78 SLC5A1 (0.34) SLC5A1SLC5A2PTAFRKMO
SCHEMBL6743760 0.78 PTAFR (0.32) SLC5A1SLC5A2CHRM1EGFRPTAFR
SCHEMBL12406710 0.76 CHRM1 (0.33) CHRM1EGFRCHRM5CHRM3
SCHEMBL5777245 0.76 BRD4 (0.34) CHRM1CHRM5CHRM3

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 claimed
US-5530126-A ALKYLATION IN INERT SOLVENT MONSANTO COMPANY (US) 1996-06-25 US claimed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US claimed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP claimed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 WO claimed
EP-0791571-B1 Benzoyl derivatives BAYER CROPSCIENCE AG (DE) 2004-06-16 EP 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