SCHEMBL7977645

SCHEMBL7977645

O=C(NCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
CNR1 P21554 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 2/20 0.41
GOT1 P17174 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 2/20 0.39
MCHR1 Q99705 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8627241 0.87 HTT (0.40) EPHX2MEN1MAPTKMT2ACYP3A4
SCHEMBL8065618 0.86 TRPV1 (0.52) EPHX2MCHR1NPC1
SCHEMBL8628024 0.86 SCN9A (0.41) EPHX2MEN1MAPTKMT2ACYP3A4
SCHEMBL7977858 0.85 HTT (0.46) EPHX2MEN1MAPTKMT2ACYP3A4
SCHEMBL8081473 0.85 HTT (0.46) EPHX2MEN1MAPTKMT2ACYP2C19
SCHEMBL8065652 0.83 TRPV1 (0.51) EPHX2
SCHEMBL8656316 0.83 HTT (0.39) EPHX2MEN1MAPTKMT2ACYP3A4
SCHEMBL7965616 0.80 ALDH1A1 (0.42) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL8406151 0.80 FFAR4 (0.44) CYP3A4CYP2C9HTT
SCHEMBL8519621 0.80 FFAR4 (0.44) EPHX2CYP3A4CYP2C9HTT

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 6 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-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 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
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed