SCHEMBL7063757

SCHEMBL7063757

O=[N+]([O-])c1c(O)ccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.48
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
S100A4 P26447 1/20 0.39
MCL1 Q07820 1/20 0.39
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
CTSB P07858 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL3469093 0.86 ALDH1A1 (0.44) GPR35CA12CA1CA2CA9
SCHEMBL4363348 0.86 GPR35 (0.60) GPR35ESR1ESR2CA12CA1
SCHEMBL4582714 0.85 GPR35 (0.47) GPR35ESR1ESR2CA12CA1
SCHEMBL594277 0.82 GPR35 (0.44) GPR35ESR1ESR2CA12CA1
SCHEMBL1670128 0.82 GPR35 (0.44) GPR35ESR1ESR2CA12CA1
SCHEMBL23229249 0.82 PTGER4 (0.48) GPR35ESR1ESR2CA12CA1
SCHEMBL27677603 0.82 ALDH1A1 (0.41) GPR35CA12CA1CA2CA9
SCHEMBL1162131 0.81 GPR35 (0.62) GPR35ESR1ESR2TSHRALDH1A1
SCHEMBL2956655 0.79 GPR35 (0.42) GPR35ESR1ESR2CA12CA1
SCHEMBL26654588 0.79 GRIN2D (0.44) GPR35ESR1ESR2HPGDTSHR

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