SCHEMBL7065409

SCHEMBL7065409

Nc1cccc2cc(S(=O)(=O)O)[c]c(O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
TTR P02766 1/20 0.37
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 4/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
NT5E P21589 1/20 0.35
GLO1 Q04760 1/20 0.34
JAK2 O60674 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MELK Q14680 1/20 0.33
STK24 Q9Y6E0 1/20 0.33
DUSP5 Q16690 1/20 0.31
NR4A1 P22736 1/20 0.31
CASP6 P55212 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL11875966 0.83 TTR (0.41) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL8377402 0.78 NT5E (0.61) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL1413164 0.77 NT5E (0.39) ALDH1A1HSD17B10NT5E
SCHEMBL7065722 0.76 TTR (0.49) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL7068945 0.75 CASP6 (0.50) ALDH1A1HSD17B10TSHRCASP6CYP2C19
SCHEMBL11595998 0.74 AURKA (0.51) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL6630742 0.73 CYP2D6 (0.44) ALDH1A1HSD17B10TSHRTDP1CASP6
SCHEMBL11433276 0.71 AURKA (0.47) AURKAAURKBTTRALDH1A1HSD17B10
SCHEMBL3928588 0.71 NT5E (0.70) AURKAAURKBALDH1A1HSD17B10TSHR
SCHEMBL31336134 0.71 NT5E (0.70) AURKAAURKBALDH1A1HSD17B10TSHR

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