SCHEMBL7063754

SCHEMBL7063754

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.55
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CTSB P07858 3/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 5/20 0.42
CASP6 P55212 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
CA12 O43570 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
SCHEMBL11416696 0.84 GPR35 (0.55) GPR35TSHRSMN1; SMN2CTSBTP53
SCHEMBL4582709 0.83 SMN1; SMN2 (0.52) GPR35TSHRSMN1; SMN2CTSBTP53
SCHEMBL145978 0.81 GPR35 (0.67) GPR35TSHRSMN1; SMN2CTSBTP53
Hydrochloric Acid SCHEMBL6372499 0.79 GPR35 (0.64) GPR35TSHRSMN1; SMN2CTSBTP53
SCHEMBL888475 0.79 GPR35 (0.64) GPR35TSHRSMN1; SMN2CTSBTP53
SCHEMBL27270155 0.79 GPR35 (0.64) GPR35TSHRSMN1; SMN2CTSBTP53
SCHEMBL17512851 0.79 GPR35 (0.64) GPR35TSHRSMN1; SMN2CTSBTP53
SCHEMBL70085 0.79 GPR35 (0.59) GPR35TSHRSMN1; SMN2CTSBTP53
SCHEMBL28638066 0.79 GPR35 (0.64) GPR35TSHRSMN1; SMN2CTSBTP53
Water SCHEMBL28180163 0.79 GPR35 (0.64) GPR35TSHRSMN1; SMN2CTSBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314036-A2 BIOSENSOR ASSAY DEVICE AND METHOD Helix Biopharma Corp. (CA) 2003-05-28 EP disclosed
WO-2002018952-A2 BIOSENSOR ASSAY DEVICE AND METHOD HELIX BIOPHARMA CORPORATION (CA) 2002-03-07 WO disclosed