SCHEMBL7070073

SCHEMBL7070073

CN(C)C(=S)OC(=C(C#N)c1ccc(Cl)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
LTC4S Q16873 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TRPA1 O75762 1/20 0.31
AR P10275 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
SCHEMBL7070072 1.00 MGLL (0.38) MGLLLTC4SSMN1; SMN2GAAPPARG
SCHEMBL28357691 0.86 MGLL (0.40) MGLLLTC4SGAAPPARGPPARA
SCHEMBL7071368 0.82 MGLL (0.45) MGLLLTC4SSMN1; SMN2GAAPPARG
SCHEMBL7071370 0.82 MGLL (0.45) MGLLLTC4SSMN1; SMN2GAAPPARG
SCHEMBL162916 0.80 MGLL (0.42) MGLLLTC4SGAAPPARGPPARA
SCHEMBL7070108 0.80 MGLL (0.41) MGLLLTC4SGAAPPARGPPARA
SCHEMBL7073005 0.80 MGLL (0.39) MGLLLTC4SSMN1; SMN2GAAPPARG
SCHEMBL7073006 0.80 MGLL (0.39) MGLLLTC4SSMN1; SMN2GAAPPARG
SCHEMBL7071961 0.78 MGLL (0.41) MGLLLTC4SGAAPPARGPPARA
SCHEMBL7071399 0.76 MGLL (0.39) MGLLLTC4SGAAPPARGPPARA

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 2 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