SCHEMBL7976122

SCHEMBL7976122

Cc1cc(OCC=C(Cl)Cl)cc(Cl)c1OCCCCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SCN8A Q9UQD0 2/20 0.35
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.33
PPARD Q03181 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CACNA1B Q00975 1/20 0.33
RHOC P08134 2/20 0.33
RHOA P61586 2/20 0.33
SCN9A Q15858 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7979390 0.97 SCN8A (0.38) HTTSCN8APPARDCYP3A4KCNH2
SCHEMBL8629077 0.94 SCN8A (0.40) HTTSCN8ATP53GAAMAPK1
SCHEMBL8659999 0.93 HTT (0.37) HTTSCN8APPARDKDM4ECACNA1B
SCHEMBL7979566 0.91 SCN8A (0.43) HTTSCN8APPARDCYP3A4KCNH2
SCHEMBL8408424 0.90 HTT (0.38) HTTSCN8ACACNA1BRHOCRHOA
SCHEMBL7982119 0.89 HTT (0.34) HTTCACNA1BRHOCRHOASCN9A
SCHEMBL8659923 0.89 PPARD (0.40) HTTTP53GAAPPARDCYP3A4
SCHEMBL7979320 0.89 HTT (0.37) HTTSCN8APPARDCACNA1BRHOC
SCHEMBL7072956 0.88 METAP1 (0.36) TP53GAAPPARDKMT2APOLB
SCHEMBL7976125 0.87 RHOC (0.44) PPARDRHOCRHOAMCL1

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