SCHEMBL9477137

SCHEMBL9477137

O=[N+]([O-])c1cc(Br)c(O)c(Br)c1CCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
PLCG1 P19174 1/20 0.37
DNMT1 P26358 1/20 0.37
CASP6 P55212 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SNCA P37840 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ERN1 O75460 1/20 0.34
ACP1 P24666 1/20 0.34
GPR35 Q9HC97 5/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32

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
SCHEMBL9479697 0.82 SNCA (0.39) CA12CA1CA2CA9SNCA
SCHEMBL9478518 0.78 FBP1 (0.48) ALDH1A1MAPTCYP2C9HIF1AHSD17B10
SCHEMBL9479736 0.76 CA1 (0.35) CA12CA1CA2CA9
SCHEMBL9478488 0.76 CYP1A2 (0.43) CA12CA1CA2CA9SNCA
SCHEMBL9781173 0.72 GPR35 (0.45) CA12CA1CA2CA9SNCA
SCHEMBL7783117 0.70 GPR35 (0.47) CA1CA2ALDH1A1TDP1ERN1
SCHEMBL9477131 0.69 CA12 (0.40) CA12CA1CA2CA9NSD2
SCHEMBL9477143 0.69 CA12 (0.40) CA12CA1CA2CA9NSD2
SCHEMBL5041177 0.68 CYP1A2 (0.59) CA12CA1CA2CA9SNCA
SCHEMBL11211745 0.67 GPR35 (0.52) CA12CA1CA2CA9CASP6

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
US-5204242-A Coupling component for colorimetric analysis of detection of oxidative coupling reaction; peroxide or peroxidase or aromatic amine detection BOEHRINGER MANNHEIM GMBH (DE) 1993-04-20 US disclosed
EP-0476608-A1 Substituted phenols Roche Diagnostics GmbH (DE) 1992-03-25 EP disclosed