SCHEMBL8975556

SCHEMBL8975556

Nc1cc2cccc(S(=O)(=O)O)c2cc1S(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.59
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
ATIC P31939 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP6 P55212 1/20 0.42
FABP4 P15090 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK14 Q16539 1/20 0.41
NR4A1 P22736 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 2/20 0.39

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
SCHEMBL600908 0.93 TTR (0.59) TTRAURKAAURKBATICALDH1A1
SCHEMBL28779513 0.91 TTR (0.61) TTRAURKAAURKBATICALDH1A1
SCHEMBL6051270 0.89 TTR (0.59) TTRAURKAAURKBATICALDH1A1
SCHEMBL7691913 0.89 TTR (0.59) TTRAURKAAURKBATICALDH1A1
SCHEMBL8028868 0.84 TTR (0.52) TTRAURKAAURKBATICALDH1A1
SCHEMBL686665 0.84 TTR (0.55) TTRAURKAAURKBATICALDH1A1
SCHEMBL343463 0.82 IDO1 (0.47) TTRAURKAAURKBATICALDH1A1
SCHEMBL29674878 0.82 IDO1 (0.47) TTRAURKAAURKBATICALDH1A1
SCHEMBL686854 0.82 TTR (0.53) TTRAURKAAURKBATICALDH1A1
SCHEMBL29987260 0.82 TTR (0.53) TTRAURKAAURKBATICALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102566269-B Coloured composition, colour filter and display element JSR株式会社 2016-06-15 CN disclosed
CN-101768369-B Weather-resistant perylene bisimide dye and preparation method and application thereof UNIV DALIAN TECH 2012-05-23 CN disclosed
EP-0586975-B1 Method for the isolation of 2-naphthylamine-1,5,7,-trisulphonic acid BAYER AG (DE) 1996-04-10 EP disclosed
CN-1089940-A 2-naphthylamines-1,5, the separation method of 7-trisulfonic acid BAYER AG (DE) 1994-07-27 CN disclosed
EP-0586975-A1 Method for the isolation of 2-naphthylamine-1,5,7,-trisulphonic acid BAYER AG (DE) 1994-03-16 EP disclosed