SCHEMBL7068229

SCHEMBL7068229

Nc1cc2c(O)[c]c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TTR P02766 1/20 0.33
NQO1 P15559 1/20 0.33
NT5E P21589 2/20 0.33
NSD2 O96028 2/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30
PLCG1 P19174 1/20 0.30
DNMT1 P26358 1/20 0.30

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
SCHEMBL2472818 0.79 NT5E (0.54) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL8608288 0.77 CTDSP1 (0.47) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL2152539 0.76 CASP6 (0.54) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL1413196 0.75 NT5E (0.32) ALDH1A1HSD17B10NQO1NT5ECASP1
SCHEMBL7068270 0.75 CA2 (0.48) CASP6ALDH1A1TDP1GAA
SCHEMBL6635390 0.74 HSD17B10 (0.50) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL1413097 0.73
SCHEMBL6630742 0.73 CYP2D6 (0.44) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL14339180 0.73 ALDH1A1 (0.38) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL7549756 0.71 ALDH1A1 (0.42) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765965-B1 Process for deying synthetic fibrous polyamid materials DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-06-04 EP disclosed
EP-0765918-B1 Reactive dye preparations DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-07-28 EP disclosed
US-5810890-A USING SPECIFIED MIXTURE OF DYES; INCREASED BRIGHTNESS AND LEVELNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-22 US disclosed
US-5803930-A MIXTURE OF TWO DIFFERENT WATER SOLUBLE DYES; DYEING SYNTHETIC POLYAMIDES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-08 US disclosed
EP-0765918-A2 Reactive dye preparations DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0765965-A2 Process for deying synthetic fibrous polyamid materials DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed