SCHEMBL7070125

SCHEMBL7070125

CCN(CC)S(=O)(=O)O/C(=C(\C#N)c1ccc(Cl)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GAA P10253 2/20 0.33
LTC4S Q16873 1/20 0.33
DDR1 Q08345 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 1/20 0.32
KMT2A Q03164 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
SCHEMBL7070068 1.00 MGLL (0.37) MGLLPPARGPPARAGAALTC4S
SCHEMBL7073005 0.89 MGLL (0.39) MGLLPPARGPPARAGAALTC4S
SCHEMBL7073006 0.89 MGLL (0.39) MGLLPPARGPPARAGAALTC4S
SCHEMBL7069934 0.83 MGLL (0.37) MGLLPPARGPPARAGAALTC4S
SCHEMBL7069930 0.83 MGLL (0.37) MGLLPPARGPPARAGAALTC4S
SCHEMBL27487676 0.79 SMN1; SMN2 (0.32) GAADDR1MAPTNPSR1ALDH1A1
SCHEMBL7070762 0.77 LMNA (0.34) PPARGGAADDR1MAPTNPSR1
SCHEMBL7070760 0.77 LMNA (0.34) PPARGGAADDR1MAPTNPSR1
SCHEMBL7071368 0.76 MGLL (0.45) MGLLPPARGPPARAGAALTC4S
SCHEMBL7071370 0.76 MGLL (0.45) MGLLPPARGPPARAGAALTC4S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996614-B1 ACRYLONITRILE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2003-06-11 EP disclosed
US-6187944-B1 A PHENYL ACRYLONITRILE COMPOUNDS USEFUL AS ACTIVE INGREDIENTS OF AN INSECTICIDE, A MITICIDE, A NEMATICIDE, A SOIL PESTICIDE, A FUNGICIDE AND A MARINE ANTIFOULING AGENT ISHIHARA SANGYO KAISHA LTD. (JP) 2001-02-13 US disclosed
EP-0996614-A1 ACRYLONITRILE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-05-03 EP disclosed
WO-1998035935-A1 ACRYLONITRILE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1998-08-20 WO disclosed