SCHEMBL9813360

SCHEMBL9813360

Nc1cccc2c(S(=O)(=O)O)ccc(S(=O)(=O)O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.72
AURKB Q96GD4 1/20 0.72
TTR P02766 2/20 0.67
NR4A1 P22736 2/20 0.50
SNCA P37840 2/20 0.43
CHAT P28329 1/20 0.43
COMT P21964 1/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
FABP4 P15090 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK14 Q16539 1/20 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
SCHEMBL159399 0.94 AURKA (0.75) AURKAAURKBTTRNR4A1SNCA
SCHEMBL30822934 0.94 AURKA (0.75) AURKAAURKBTTRNR4A1SNCA
SCHEMBL11429443 0.93 AURKA (0.73) AURKAAURKBTTRNR4A1SNCA
SCHEMBL30118457 0.93 AURKA (0.73) AURKAAURKBTTRNR4A1SNCA
SCHEMBL11759180 0.93 AURKA (0.73) AURKAAURKBTTRNR4A1SNCA
SCHEMBL5711912 0.92 AURKA (0.77) AURKAAURKBTTRNR4A1SNCA
SCHEMBL6051312 0.91 AURKA (0.65) AURKAAURKBTTRNR4A1SNCA
SCHEMBL11431367 0.87 AURKA (0.66) AURKAAURKBTTRNR4A1SNCA
SCHEMBL3211377 0.87 AURKB (0.87) AURKAAURKBTTRNR4A1SNCA
SCHEMBL9757298 0.86 AURKA (0.55) AURKAAURKBTTRNR4A1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020142700-A1 BINDING DOMAIN MAPPING AND COMPOUNDS, COMPOSITIONS, COMPLEXES, METHODS, AND KITS RELATED THERETO George Mason Research Foundation, Inc. (US) 2020-07-09 WO disclosed
CN-102566269-B Coloured composition, colour filter and display element JSR株式会社 2016-06-15 CN disclosed
EP-0114341-B1 DYE-CONTAINING LAYER IN A PHOTOPOLYMERISABLE COMPOSITION, AND PROCESS FOR OBTAINING RELIEF AND PRINTING FORMES BASF Aktiengesellschaft (DE) 1991-07-24 EP disclosed
EP-0115021-B1 PROCESS FOR OBTAINING POSITIVE RELIEF AND PRINTING FORMES BASF Aktiengesellschaft (DE) 1989-09-20 EP disclosed
US-4816379-A Production of relief plates and printing plates by a positive-working method BASF AKTIENGESELLSCHAFT (DE) 1989-03-28 US disclosed
EP-0115021-A2 Process for obtaining positive relief and printing formes BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
EP-0114341-A2 Dye-containing layer in a photopolymerisable composition, and process for obtaining relief and printing formes BASF Aktiengesellschaft (DE) 1984-08-01 EP disclosed
US-4163675-A CONTAINING NAPHTHALENE DERIVATIVES PILOT INK CO., LTD. (JP) 1979-08-07 US disclosed