SCHEMBL10985333

SCHEMBL10985333

O=C1C(Cl)C(CCl)CN1c1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NR1H2 P55055 7/20 0.33
NR1H3 Q13133 6/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
P2RX1 P51575 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL10988930 0.84 GRM2 (0.47) NR1H2NR1H3GRM2
Flurochloridone SCHEMBL9668444 0.81 DRD2 (0.43) ALDH1A1LMNAMAPTGRM2SMN1; SMN2
Flurochloridone SCHEMBL29471429 0.81 DRD2 (0.43) ALDH1A1LMNAMAPTGRM2SMN1; SMN2
Flurochloridone SCHEMBL8539437 0.81 DRD2 (0.43) ALDH1A1LMNAMAPTGRM2SMN1; SMN2
Flurochloridone SCHEMBL54056 0.81 DRD2 (0.43) ALDH1A1LMNAMAPTGRM2SMN1; SMN2
Flurochloridone SCHEMBL10985578 0.81 DRD2 (0.43) ALDH1A1LMNAMAPTGRM2SMN1; SMN2
Flurochloridone SCHEMBL9668435 0.81 DRD2 (0.43) ALDH1A1LMNAMAPTGRM2SMN1; SMN2
SCHEMBL10986130 0.79 FADS1 (0.44) ALDH1A1LMNAMAPTGRM2
SCHEMBL10967769 0.79 ALDH1A1 (0.47) ALDH1A1GRM2ALOX15TSHR
SCHEMBL10971914 0.78 TRPA1 (0.35) ALDH1A1ALOX15TSHR

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
US-4505737-A HALOGENATED PHENYLPYRROLIDONE AND HALOALKYLPHOSPHONIC ACID STAUFFER CHEMICAL COMPANY (US) 1985-03-19 US disclosed
US-4428767-A A PYRROLIDONE AND A CYCLOHEXENEDIONE STAUFFER CHEMICAL COMPANY (US) 1984-01-31 US disclosed
US-4416684-A PYRROLIDONE AND M-UREIDOPHENYL CARBAMATE STAUFFER CHEMICAL COMPANY (US) 1983-11-22 US disclosed
US-4317673-A MIXTURE OF /-TRIFLUOROPHENYL; 3-CHLORO, 4-CHLOROMETHYL-2-PYRROLIDONE AND AN N-P-CHLOROPHENOXYPHENYL-N*,N*-DIALKYL UREA STAUFFER CHEMICAL COMPANY (US) 1982-03-02 US disclosed
EP-0015453-B1 SYNERGISTIC HERBICIDAL COMPOSITIONS AND METHOD FOR CONTROLLING UNDESIRABLE VEGETATION STAUFFER CHEMICAL COMPANY (US) 1981-11-04 EP disclosed
US-4263038-A 3-AMINO-TRIAZOLE AND A PYRROLIDONE STAUFFER CHEMICAL COMPANY (US) 1981-04-21 US disclosed
EP-0015453-A2 Synergistic herbicidal compositions and method for controlling undesirable vegetation STAUFFER CHEMICAL COMPANY (US) 1980-09-17 EP disclosed
US-4210589-A CYCLIZATION STAUFFER CHEMICAL COMPANY (US) 1980-07-01 US disclosed
US-4110105-A Aromatic N-substituted halo-substituted-2-pyrrolidinones and their utility as herbicides STAUFFER CHEMICAL COMPANY (US) 1978-08-29 US disclosed