SCHEMBL7979247

SCHEMBL7979247

FC(F)(F)c1ccc(NCCCOc2c(Br)cc(OCC=C(Cl)Cl)cc2Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SCN8A Q9UQD0 2/20 0.34
RHOC P08134 3/20 0.34
RHOA P61586 3/20 0.34
PPARG P37231 1/20 0.34
CACNA1B Q00975 3/20 0.34
SCN9A Q15858 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
CACNA1H O95180 1/20 0.32
HDAC1 Q13547 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAOB P27338 1/20 0.31
AOC3 Q16853 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7977794 0.97 HTT (0.37) HTTSCN8ARHOCRHOAPPARG
SCHEMBL8408424 0.89 HTT (0.38) HTTSCN8ARHOCRHOAPPARG
SCHEMBL7979566 0.88 SCN8A (0.43) HTTSCN8ARHOCRHOAPPARG
SCHEMBL7976269 0.86 HTT (0.40) HTTSCN8ARHOCRHOAPPARG
SCHEMBL8659999 0.86 HTT (0.37) HTTSCN8ARHOCRHOACACNA1B
SCHEMBL7965854 0.85 HTT (0.35) HTTSCN8ARHOCRHOACACNA1B
SCHEMBL7979250 0.85 RHOC (0.48) RHOCRHOASIGMAR1MAPTTBK1
SCHEMBL8629077 0.85 SCN8A (0.40) HTTSCN8ARHOCRHOAPPARG
SCHEMBL7979390 0.84 SCN8A (0.38) HTTSCN8ARHOCRHOAPPARG
SCHEMBL7975920 0.83 HTT (0.40) HTTSCN8ARHOCRHOAPPARG

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
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed