SCHEMBL8567740

SCHEMBL8567740

Cn1nc(-c2cc(CC(O)=S)c([N+](=O)[O-])cc2F)c(Cl)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL27314790 0.88 RECQL (0.33) ALDH1A1MAPT
SCHEMBL8566176 0.83 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8571516 0.82 ALDH1A1 (0.37) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL6843950 0.81 TDP1 (0.39) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8571533 0.80 PKM (0.39) ALDH1A1MAPT
SCHEMBL27520770 0.80
SCHEMBL8566681 0.78 PKM (0.39) ALDH1A1MAPT
SCHEMBL8567738 0.78 APEX1 (0.39) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL27314791 0.78 GPR174 (0.32)
SCHEMBL8566841 0.78 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDALOX15TSHR

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 9 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-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