SCHEMBL7979631

SCHEMBL7979631

Cc1cc(OCC=C(Cl)Cl)cc(Cl)c1OCCCCNCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 5/20 0.38
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARD Q03181 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 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
PDE2A O00408 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7977978 0.97 SCN8A (0.40) SCN8APPARDPPARGPPARAMEN1
SCHEMBL7979403 0.95 SCN8A (0.42) SCN8ATP53GAAMAPK1PPARD
SCHEMBL7976373 0.94 SCN8A (0.34) SCN8AMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7979520 0.92 SCN8A (0.45) SCN8APPARDPPARGPPARAMEN1
SCHEMBL7979291 0.91 SCN8A (0.37) SCN8AMEN1KMT2ANPY1RNPY2R
SCHEMBL7965836 0.90 SCN8A (0.37) SCN8ATP53GAAMAPK1PPARD
SCHEMBL7976088 0.88 SCN8A (0.35) SCN8AMEN1KMT2ANPY1RNPY2R
SCHEMBL7979378 0.87 SCN8A (0.39) SCN8AGAAPPARDPPARGPPARA
SCHEMBL7976161 0.87 SCN8A (0.34) SCN8APPARDMEN1KMT2ACYP1A2
SCHEMBL7979536 0.86 KDM4E (0.35) SCN8AGAAPPARGPDE2AALDH1A1

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