SCHEMBL7784570

SCHEMBL7784570

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
ALDH1A1 P00352 6/20 0.50
GPR35 Q9HC97 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
HIF1A Q16665 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL7784575 1.00 CYP1A2 (0.58) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL1530461 0.90 CYP1A2 (0.45) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL1530458 0.90 CYP1A2 (0.45) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL384310 0.85 CYP1A2 (0.59) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL3590165 0.84 CYP1A2 (0.54) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL27961047 0.82 CYP1A2 (0.68) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL30291130 0.80 CYP1A2 (0.65) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL679338 0.80 CYP1A2 (0.65) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL10890268 0.79 CYP1A2 (0.64) CYP1A2ALDH1A1GPR35MAPK1TP53
SCHEMBL10891708 0.79 CYP1A2 (0.64) CYP1A2ALDH1A1GPR35MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880075-B1 Radiation sensitive resin composition JSR CORP (JP) 2001-10-17 EP disclosed
US-5958648-A Radiation sensitive resin composition JSR CORPORATION (JP) 1999-09-28 US disclosed
EP-0880075-A1 Radiation sensitive resin composition JSR Corporation (JP) 1998-11-25 EP disclosed
EP-0128272-A1 2,4-Diaminobenzene derivates, their production and use as coupling substances Henkel Kommanditgesellschaft auf Aktien (DE) 1984-12-19 EP disclosed