SCHEMBL2801809

SCHEMBL2801809

Nc1cc(Oc2cc(N)c(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 2/20 0.39
TTR P02766 1/20 0.36
NR4A1 P22736 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP2C9 P11712 2/20 0.33
CASP6 P55212 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CYP2C19 P33261 1/20 0.33
NQO1 P15559 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
SUMO2 P61956 1/20 0.31
SUMO1 P63165 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP2 Q9HC62 1/20 0.31

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
SCHEMBL2799379 0.90 NR4A1 (0.55) SLC7A11TTRNR4A1CTDSP1ALDH1A1
SCHEMBL2800811 0.77 TTR (0.39) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL3871858 0.76 CTDSP1 (0.51) SLC7A11TTRNR4A1CTDSP1ALDH1A1
SCHEMBL31184488 0.76 CTDSP1 (0.51) SLC7A11TTRNR4A1CTDSP1ALDH1A1
SCHEMBL31742544 0.75 ALDH1A1 (0.52) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL1128603 0.75 ALDH1A1 (0.52) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL11809656 0.74 TTR (0.41) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL2800578 0.73 GAA (0.44) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL29239042 0.73 ALDH1A1 (0.52) TTRCTDSP1ALDH1A1HSD17B10TDP1
SCHEMBL28423204 0.71 NR4A1 (0.53) SLC7A11TTRNR4A1CTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1552574-B1 PROTON-CONDUCTING POLYMER MEMBRANE COMPRISING SULFONIC ACID-CONTAINING POLYAZOLES, AND USE THEREOF IN FUEL CELLS BASF FUEL CELL RES GMBH (DE) 2013-06-19 EP disclosed
US-7745030-B2 Proton-conducting polymer membrane comprising sulfonic acid-containing polyazoles, and use thereof in fuel cells BASF FUEL CELL GMBH (DE) 2010-06-29 US disclosed
US-7736778-B2 Proton conducting polymer membrane comprising phosphonic acid groups containing polyazoles and the use thereof in fuel cells BASF FUEL CELL GMBH (DE) 2010-06-15 US disclosed
CN-100556934-C Proton-conducting polymer membrane comprising polyazoles with phosphonic acid groups and use thereof in fuel cells PEMEAS GMBH (DE) 2009-11-04 CN disclosed
US-20060183012-A1 Proton-conducting polymer membrane comprising sulfonic acid-containing polyazoles, and use thereof in fuel cells BASF FUEL CELL GMBH (DE) 2006-08-17 US disclosed
US-20060008690-A1 Proton conducting polymer membrane comprising phoshphonic acid groups containing polyazoles and the use thereof in fuel cells BASF FUEL CELL GMBH (DE) 2006-01-12 US disclosed
EP-1554032-A2 PROTON CONDUCTING POLYMER MEMBRANE COMPRISING PHOSHPHONIC ACID GROUPS CONTAINING POLYAZOLES AND THE USE THEREOF IN FUEL CELLS Pemeas GmbH (DE) 2005-07-20 EP disclosed
EP-1552574-A2 PROTON-CONDUCTING POLYMER MEMBRANE COMPRISING SULFONIC ACID-CONTAINING POLYAZOLES, AND USE THEREOF IN FUEL CELLS Pemeas GmbH (DE) 2005-07-13 EP disclosed
WO-2004034499-A2 PROTON-CONDUCTING POLYMER MEMBRANE COMPRISING SULFONIC ACID-CONTAINING POLYAZOLES, AND USE THEREOF IN FUEL CELLS PEMEAS GMBH (DE) 2004-04-22 WO disclosed
WO-2004033079-A2 PROTON CONDUCTING POLYMER MEMBRANE COMPRISING PHOSHPHONIC ACID GROUPS CONTAINING POLYAZOLES AND THE USE THEREOF IN FUEL CELLS PEMEAS GMBH (DE) 2004-04-22 WO disclosed