SCHEMBL9818532

SCHEMBL9818532

Nc1cc(S(=O)(=O)O)c2cccnc2c1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.66
HSP90AB1 P08238 1/20 0.66
COMT P21964 11/20 0.60
MMP14 P50281 1/20 0.60
CYP1A2 P05177 2/20 0.57
HIF1A Q16665 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PTPRC P08575 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
PTPN7 P35236 1/20 0.53
PTPN11 Q06124 1/20 0.53
PTPRJ Q12913 1/20 0.53
DUSP26 Q9BV47 1/20 0.53
FTO Q9C0B1 1/20 0.53
ENPP2 Q13822 1/20 0.51

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
SCHEMBL12192929 0.89 HSP90AA1 (0.69) HSP90AA1HSP90AB1COMTMMP14CYP1A2
SCHEMBL4461500 0.87 COMT (0.64) HSP90AA1HSP90AB1COMTCYP1A2HIF1A
8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL29385217 0.83 HIF1A (0.64) HSP90AA1HSP90AB1COMTMMP14CYP1A2
SCHEMBL22802119 0.83 COMT (0.67) HSP90AA1COMTMMP14CYP1A2HIF1A
SCHEMBL2981945 0.83 COMT (0.66) HSP90AA1HSP90AB1COMTCYP1A2HIF1A
SCHEMBL13921640 0.83 COMT (0.66) HSP90AA1HSP90AB1COMTCYP1A2HIF1A
8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL94250 0.83 HIF1A (0.64) HSP90AA1HSP90AB1COMTMMP14CYP1A2
8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL8140547 0.82 HIF1A (0.62) HSP90AA1HSP90AB1COMTMMP14CYP1A2
SCHEMBL6754590 0.81 COMT (0.69) HSP90AA1HSP90AB1COMTMMP14CYP1A2
SCHEMBL8883998 0.81 ENPP2 (0.60) HSP90AA1HSP90AB1COMTCYP1A2HIF1A

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
CN-101602724-B 4,4'-bis(5-sulfo-8-hydroxyl-7-aminoquinoline azo)-3,5,3',5'-tetrabromo-diphenyl ether UNIV SHANXI DATONG 2011-05-18 CN disclosed
US-5001227-A Fibre-reactive 1:1 chromium complex azo or azomethine dyes having a bidentate chelating group and a monofunctional neutral ligand CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed
EP-0144776-B1 FIBRE-REACTIVE CHROMIUM COMPLEXES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-10-11 EP disclosed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed