SCHEMBL8636378

SCHEMBL8636378

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.49
THRA P10827 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8633785 0.90 HSPB1 (0.43) PDE7ATHRAMEN1KMT2AGAA
SCHEMBL8634064 0.90 PDE7A (0.48) PDE7ATHRAMEN1KMT2AGAA
SCHEMBL8635191 0.87 CYP2C9 (0.41) PDE7ATHRAMEN1KMT2AGAA
SCHEMBL8632767 0.82 MEN1 (0.48) PDE7AMEN1KMT2AGAAPKM
SCHEMBL8638045 0.82 HSPB1 (0.45) MEN1KMT2AGAAALDH1A1RAB9A
SCHEMBL8634880 0.81 MEN1 (0.44) PDE7ATHRAMEN1KMT2AGAA
SCHEMBL8636170 0.80 HSPB1 (0.42) PDE7ATHRAMEN1KMT2AGAA
SCHEMBL8632790 0.78 LMNA (0.46) MEN1KMT2ACYP2C9ALDH1A1RAB9A
SCHEMBL8632066 0.78 CYP2C9 (0.40) PDE7ATHRAMEN1KMT2AGAA
SCHEMBL32662862 0.75 MAOB (0.52) ALDH1A1MAPTLMNA

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