SCHEMBL8636170

SCHEMBL8636170

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.42
THRA P10827 2/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
S1PR4 O95977 1/20 0.38
RAB9A P51151 1/20 0.38
PDE7A Q13946 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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) HSPB1THRAMAPTSMN1; SMN2POLB
SCHEMBL8634064 0.90 PDE7A (0.48) THRAMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL8634880 0.88 MEN1 (0.44) HSPB1THRAMAPTSMN1; SMN2POLB
SCHEMBL8632066 0.87 CYP2C9 (0.40) THRAMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL8636378 0.80 PDE7A (0.49) THRAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8637192 0.80 HSPB1 (0.44) HSPB1MAPTSMN1; SMN2POLBNPSR1
SCHEMBL8633505 0.78 LMNA (0.45) MAPTSMN1; SMN2POLBNPSR1MEN1
SCHEMBL8635191 0.77 CYP2C9 (0.41) THRAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8635095 0.75 MAPT (0.33) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL22069597 0.75 HSPB1 (0.54) HSPB1MAPTSMN1; SMN2MEN1KMT2A

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