SCHEMBL7066549

SCHEMBL7066549

N#CC(=C(O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
GAA P10253 2/20 0.38
P2RX7 Q99572 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
AR P10275 1/20 0.37
NR4A1 P22736 1/20 0.36
LMNA P02545 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
LTC4S Q16873 1/20 0.36
TRPA1 O75762 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
GRIK1 P39086 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL7066546 1.00 MGLL (0.45) MGLLGAAP2RX7PPARGPPARA
SCHEMBL7066568 0.86 LMNA (0.40) MGLLGAAARLMNATAS2R14
SCHEMBL7066566 0.86 LMNA (0.40) MGLLGAAARLMNATAS2R14
SCHEMBL7226441 0.83 RAPGEF3 (0.39) GAALMNATAS2R14MAPTNPC1
SCHEMBL7226446 0.83 RAPGEF3 (0.39) GAALMNATAS2R14MAPTNPC1
SCHEMBL7072998 0.82 GABRA1 (0.41) MGLLMAPTNPC1SLC22A12GRIK1
SCHEMBL7073002 0.82 GABRA1 (0.41) MGLLMAPTNPC1SLC22A12GRIK1
SCHEMBL28357691 0.81 MGLL (0.40) MGLLGAAP2RX7PPARGPPARA
SCHEMBL8032364 0.80 NR4A1 (0.41) MGLLNR4A1LMNAMAPTKMT2A
SCHEMBL8032369 0.80 NR4A1 (0.41) MGLLNR4A1LMNAMAPTKMT2A

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
US-6624179-B1 Analyzed by reversed phase liquid chromatography in which a packing comprising silica having chemically bonded thereto an alkyl group selected from trimethyl, octyl and octadecyl, is used as the stationary phase, and a polar solvent selected ISHIHARA SANGYO KAISHA LTD. (JP) 2003-09-23 US disclosed
EP-0996614-B1 ACRYLONITRILE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2003-06-11 EP disclosed
EP-1201646-A1 GEOMETRICAL ISOMER OF ACRYLONITRILE COMPOUND, MIXTURE THEREOF, AND PROCESS FOR PRODUCING THESE ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-05-02 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