SCHEMBL7073097

SCHEMBL7073097

CCS(=O)(=O)OC(=C(C#N)c1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.36
GABRA1 P14867 6/20 0.36
GABRG2 P18507 6/20 0.36
GABRB3 P28472 6/20 0.36
GABRB2 P47870 4/20 0.36
GABRB1 P18505 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
GRIK1 P39086 1/20 0.34
POLB P06746 1/20 0.34
CCR2 P41597 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL7073093 1.00 SLC22A12 (0.36) SLC22A12GABRA1GABRG2GABRB3GABRB2
SCHEMBL7073489 0.93 SLC22A12 (0.35) SLC22A12GABRA1GABRG2GABRB3GABRB2
SCHEMBL7073487 0.93 SLC22A12 (0.35) SLC22A12GABRA1GABRG2GABRB3GABRB2
SCHEMBL7071645 0.90 SLC22A12 (0.38) SLC22A12GABRA1GABRG2GABRB3GABRB2
SCHEMBL7071641 0.90 SLC22A12 (0.38) SLC22A12GABRA1GABRG2GABRB3GABRB2
SCHEMBL7070530 0.81 KDM4E (0.40) SLC22A12GABRA1GABRG2GABRB3GABRB2
SCHEMBL7070123 0.81 KDM4E (0.40) SLC22A12GABRA1GABRG2GABRB3GABRB2
SCHEMBL7069934 0.78 MGLL (0.37) SLC22A12GAAMAPT
SCHEMBL7069930 0.78 MGLL (0.37) SLC22A12GAAMAPT
SCHEMBL7070762 0.78 LMNA (0.34) GAAMAPTSMN1; SMN2

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