SCHEMBL7977794

SCHEMBL7977794

FC(F)(F)c1ccc(NCCCCOc2c(Br)cc(OCC=C(Cl)Cl)cc2Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CACNA1B Q00975 3/20 0.33
RHOC P08134 2/20 0.33
RHOA P61586 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HDAC1 Q13547 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
CACNA1H O95180 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PPARG P37231 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7979247 0.97 HTT (0.38) HTTCACNA1BRHOCRHOAHDAC1
SCHEMBL8659999 0.89 HTT (0.37) HTTCACNA1BRHOCRHOAKDM4E
SCHEMBL8629077 0.88 SCN8A (0.40) HTTCACNA1BRHOCRHOAKDM4E
SCHEMBL7975920 0.86 HTT (0.40) HTTCACNA1BRHOCRHOAHDAC1
SCHEMBL8408424 0.86 HTT (0.38) HTTCACNA1BRHOCRHOASIGMAR1
SCHEMBL7977795 0.85 RHOC (0.45) RHOCRHOAHDAC1SIGMAR1TBK1
SCHEMBL7982119 0.85 HTT (0.34) HTTCACNA1BRHOCRHOASIGMAR1
SCHEMBL7979566 0.85 SCN8A (0.43) HTTCACNA1BRHOCRHOACYP3A4
SCHEMBL7976122 0.85 HTT (0.36) HTTCACNA1BRHOCRHOAKDM4E
SCHEMBL7979320 0.83 HTT (0.37) HTTCACNA1BRHOCRHOASCN8A

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