SCHEMBL7027692

SCHEMBL7027692

Nc1cccc2ccc(S(=O)(=O)O)c(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
TTR P02766 2/20 0.47
GLO1 Q04760 1/20 0.44
CTRB1 P17538 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.41
CYP1A2 P05177 2/20 0.40
NR4A1 P22736 2/20 0.40
CDK2 P24941 2/20 0.40
FABP4 P15090 1/20 0.40
CCNA2 P20248 1/20 0.40
MAPK14 Q16539 1/20 0.40
SENP2 Q9HC62 3/20 0.39
SUMO2 P61956 2/20 0.39
SUMO1 P63165 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP1 Q9P0U3 2/20 0.39
JAK2 O60674 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MELK Q14680 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
SCHEMBL28065908 0.84 AURKA (0.50) AURKAAURKBTTRGLO1CTRB1
SCHEMBL28065899 0.84 TTR (0.54) AURKAAURKBTTRCTRB1PHLPP2
SCHEMBL28757570 0.82 AURKA (0.51) AURKAAURKBTTRCTRB1CYP1A2
SCHEMBL29360969 0.82 TTR (0.58) AURKAAURKBTTRGLO1PHLPP2
SCHEMBL179823 0.82 TTR (0.58) AURKAAURKBTTRGLO1PHLPP2
Water SCHEMBL7765550 0.80 TTR (0.56) AURKAAURKBTTRGLO1PHLPP2
SCHEMBL21240726 0.80 TTR (0.56) AURKAAURKBTTRGLO1PHLPP2
SCHEMBL6472138 0.80 AURKA (0.41) AURKAAURKBTTRCTRB1CYP1A2
SCHEMBL2984538 0.80 TTR (0.56) AURKAAURKBTTRGLO1PHLPP2
SCHEMBL9614841 0.79 TTR (0.50) AURKAAURKBTTRGLO1CTRB1

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
JP-7076660-A None JP disclosed
EP-1032613-B1 REACTIVE DISAZO DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-02-19 EP disclosed
US-6191264-B1 DYEBASE A CENTRAL 1-HYDROXY-8-AMINONAPHTHALENESULFONIC ACID WITH TERMINAL BENZENE NUCLEI EACH WITH A REACTIVE TRIAZINYLAMINO GROUP, AT LEAST ONE OF WHICH HAS ON THE TRIAZINYL NUCLEUS A CARBAMOYL ALKYLAMINO GROUP BASF AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
US-6025478-A HIGH REACTIVITY AND FIXING CAPACITY, GOOD LOW TEMPERATURE DYEING, GOOD COLOR INTENSITY, LIGHTFASTNESS, WASHFASTNESS BAYER AG (DE) 2000-02-15 US disclosed
JP-H0776660-A DISAZO REACTIVE DYE BAYER AG 1995-03-20 JP disclosed
US-5241057-A Blue shades BAYER AKTIENGESELLSHAFT (DE) 1993-08-31 US disclosed
US-4839469-A WET- AND LIGHT-FAST BLUE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-3965087-A Trisazo dye containing a diphenylenesulfone structure SAKAI CHEMICAL INDUSTRY COMPANY LTD. (JA) 1976-06-22 US disclosed
US-3951941-A POLYAZODYE SAKAI CHEMICAL INDUSTRY COMPANY, LIMITED (JA) 1976-04-20 US disclosed