SCHEMBL8631452

SCHEMBL8631452

O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(Cl)cc(OCC=C(Br)Br)cc2Cl)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.41
GPR35 Q9HC97 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CCR6 P51684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TTR P02766 1/20 0.31
PPOX P50336 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8634556 0.91 KIF11 (0.41) KIF11GPR35ALDH1A1LMNAMEN1
SCHEMBL8632066 0.85 CYP2C9 (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL8634880 0.80 MEN1 (0.44) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL8633505 0.79 LMNA (0.45) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL8636308 0.76 TDP1 (0.35) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL8635191 0.76 CYP2C9 (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL8634064 0.75 PDE7A (0.48) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL8636170 0.75 HSPB1 (0.42) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL8635095 0.74 MAPT (0.33) LMNAMEN1KMT2AMAPTHTT
SCHEMBL8637192 0.74 HSPB1 (0.44) ALDH1A1LMNAMEN1KMT2APOLB

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