SCHEMBL7741732

SCHEMBL7741732

O=[N+]([O-])c1ccc(Br)c(-c2cc([N+](=O)[O-])ccc2Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.63
S100A4 P26447 2/20 0.63
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
CES1 P23141 1/20 0.55
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
LMNA P02545 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL5935201 0.85 PTGS2 (0.55) PTPRCS100A4BCHEACHECES1
SCHEMBL30317899 0.84 PTPRC (0.54) PTPRCS100A4BCHEACHECES1
SCHEMBL3277269 0.84 PTPRC (0.54) PTPRCS100A4BCHEACHECES1
SCHEMBL10638485 0.83 PTPRC (0.49) PTPRCS100A4BCHEACHECES1
SCHEMBL11050883 0.82 PTPRC (0.57) PTPRCS100A4BCHEACHECES1
SCHEMBL4629126 0.82 PTPRC (0.51) PTPRCS100A4BCHEACHECES1
SCHEMBL399325 0.80 TDP1 (0.61) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL29364870 0.80 TDP1 (0.61) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL526702 0.78 GPR35 (0.62) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL527809 0.78 HSD17B10 (0.67) PTPRCS100A4ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6416887-B1 HAVING LAMINATE LAYERS BETWEEN ELECTRODES, USED AS LIGHT SOURCES FOR LIQUID CRYSTAL DISPLAYS KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2002-07-09 US disclosed