SCHEMBL9477131

SCHEMBL9477131

CC(c1c([N+](=O)[O-])cc(Br)c(O)c1Br)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

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
ERN1 O75460 1/20 0.37
GPR35 Q9HC97 4/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9479695 0.82 GPR35 (0.41) CA12CA1CA2CA9ERN1
SCHEMBL9478511 0.78 GPR35 (0.38) CA12CA1CA2CA9ERN1
SCHEMBL9479732 0.76 GABRA1 (0.33) CA12CA1CA2CA9NSD2
SCHEMBL9781173 0.72 GPR35 (0.45) CA12CA1CA2CA9ERN1
SCHEMBL5041177 0.72 CYP1A2 (0.59) CA12CA1CA2CA9ERN1
SCHEMBL6643461 0.70 CYP1A2 (0.49) ERN1GPR35ALDH1A1HPGDTDP1
SCHEMBL9477137 0.69 CA12 (0.40) CA12CA1CA2CA9NSD2
SCHEMBL9477143 0.69 CA12 (0.40) CA12CA1CA2CA9NSD2
SCHEMBL11211745 0.67 GPR35 (0.52) CA12CA1CA2CA9CASP6
SCHEMBL21487538 0.66 GPR35 (0.47) CA12CA1CA2CA9ERN1

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