SCHEMBL8632066

SCHEMBL8632066

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(OCC=C(Br)Br)cc2Cl)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRA P10827 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
PDE7A Q13946 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RORC P51449 1/20 0.35
HPGD P15428 2/20 0.34
EPAS1 Q99814 2/20 0.34
PLA2G7 Q13093 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8635191 0.91 CYP2C9 (0.41) CYP2C9CYP1A2CYP2C19THRAMEN1
SCHEMBL8634064 0.87 PDE7A (0.48) CYP2C9CYP1A2CYP2C19THRAMEN1
SCHEMBL8636170 0.87 HSPB1 (0.42) THRAMEN1KMT2AGAARAB9A
SCHEMBL8634880 0.85 MEN1 (0.44) THRAMEN1KMT2AGAARAB9A
SCHEMBL8631452 0.85 KIF11 (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8633505 0.82 LMNA (0.45) CYP2C9MEN1KMT2AALDH1A1MAPT
SCHEMBL8636378 0.78 PDE7A (0.49) CYP2C9CYP1A2CYP2C19THRAMEN1
SCHEMBL8637192 0.77 HSPB1 (0.44) MEN1KMT2AGAARAB9AALDH1A1
SCHEMBL8633785 0.77 HSPB1 (0.43) CYP2C9THRAMEN1KMT2AGAA
SCHEMBL8634556 0.76 KIF11 (0.41) MEN1KMT2AALDH1A1MAPTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5530015-A Dihaloprene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient, and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed