SCHEMBL2800811

SCHEMBL2800811

Nc1cc(-c2cc(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
TTR P02766 1/20 0.39
ALDH1A1 P00352 9/20 0.36
HSD17B10 Q99714 6/20 0.36
TDP1 Q9NUW8 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CASP6 P55212 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 1/20 0.36
NQO1 P15559 1/20 0.35
MAPT P10636 4/20 0.35
RECQL P46063 4/20 0.35
MEN1 O00255 3/20 0.35
THRB P10828 3/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
APP P05067 2/20 0.35
SNCA P37840 2/20 0.35
BLM P54132 2/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL2802991 0.89 KMT2A (0.50) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL9491348 0.80 TDP1 (0.44) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL31742544 0.80 ALDH1A1 (0.52) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL1128603 0.80 ALDH1A1 (0.52) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL11809656 0.79 TTR (0.41) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL2800578 0.78 GAA (0.44) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL9284940 0.78 BRD4 (0.37) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL29239042 0.78 ALDH1A1 (0.52) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL4698065 0.78 ALDH1A1 (0.52) TTRALDH1A1HSD17B10TDP1CYP2C9
SCHEMBL2801809 0.77 SLC7A11 (0.39) TTRALDH1A1HSD17B10TDP1CYP2C9

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 9 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
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