SCHEMBL7976161

SCHEMBL7976161

FC(F)(F)c1ccc(CNCCCCOc2c(Br)cc(OCC=C(Cl)Cl)cc2Br)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 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
SCHEMBL7982189 0.97 SCN8A (0.37) SCN8AKDM1AMAOAMAOBMEN1
SCHEMBL7976373 0.91 SCN8A (0.34) SCN8AKDM1AMAOAMAOBMEN1
SCHEMBL7979403 0.90 SCN8A (0.42) SCN8AKDM1AMAOAMAOBS1PR2
SCHEMBL7979536 0.88 KDM4E (0.35) SCN8AKDM1AMAOAMAOBKDM4E
SCHEMBL7979291 0.88 SCN8A (0.37) SCN8AKDM1AMAOAMAOBMEN1
SCHEMBL7979520 0.87 SCN8A (0.45) SCN8AKDM1AMAOAMAOBMEN1
SCHEMBL7979631 0.87 SCN8A (0.38) SCN8AKDM1AMAOAMAOBMEN1
SCHEMBL7977744 0.85 SCN8A (0.37) SCN8AKDM1AMAOAMAOBKDM4E
SCHEMBL7965836 0.85 SCN8A (0.37) SCN8AMEN1KMT2AS1PR2S1PR1
SCHEMBL7976088 0.84 SCN8A (0.35) SCN8AKDM1AMAOAMAOBMEN1

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