SCHEMBL7130924

SCHEMBL7130924

[NH]c1ccc2cc(S(=O)(=O)O)ccc2c1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CASP6 P55212 4/20 0.51
CYP2C9 P11712 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP2C19 P33261 2/20 0.51
NT5E P21589 2/20 0.45
NSD2 O96028 3/20 0.42
CYP1A2 P05177 3/20 0.42
SNCA P37840 2/20 0.41
DUSP3 P51452 2/20 0.41
PTPN5 P54829 2/20 0.41
PTPN11 Q06124 2/20 0.41
HIF1A Q16665 2/20 0.40
TSHR P16473 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
CASP7 P55210 1/20 0.39
PRMT1 Q99873 1/20 0.39
RHOA P61586 1/20 0.36

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
SCHEMBL3901952 0.84 ALDH1A1 (0.56) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL3817948 0.82 ALDH1A1 (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL3819438 0.82 ALDH1A1 (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL3818496 0.82 ALDH1A1 (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL10508205 0.81 NT5E (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL1755142 0.79 HSD17B10 (0.65) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL7129368 0.78 ALDH1A1 (0.39) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL157168 0.77 CASP6 (0.55) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL11518386 0.77 ALDH1A1 (0.49) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL29574227 0.77 ALDH1A1 (0.59) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776947-B1 Fiber-reactive dyestuffs, their preparation and use CIBA SC HOLDING AG (CH) 2000-04-26 EP claimed
US-5837827-A Fibre-reactive dyes, their preparation and their use CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-11-17 US claimed
EP-0776947-A1 Fiber-reactive dyestuffs, their preparation and use Ciba SC Holding AG (CH) 1997-06-04 EP claimed
US-6670457-B2 Use for dyeing or printing textile fibre materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-12-30 US disclosed
US-20030055230-A1 Reactive dyes, their preparation and use HUNTSMAN INTERNATIONAL LLC 2003-03-20 US disclosed
CN-1097076-C Active dye, their preparation and use CIBA SPECIALTY CHEMICALS HOLSI (CH) 2002-12-25 CN disclosed
EP-0739950-B1 Reactive dioxazine dye stuffs, their preparation and use CIBA SC HOLDING AG (CH) 2002-09-18 EP disclosed
EP-0764694-B1 Reactive dyes, their preparation and use thereof CIBA SC HOLDING AG (CH) 2001-11-07 EP disclosed
EP-0728818-B1 Mixtures of azo dyes and their use CIBA SC HOLDING AG (CH) 2001-07-25 EP disclosed
EP-0785237-B1 Reactive dyes, their preparation and use CIBA SC HOLDING AG (CH) 2001-07-11 EP disclosed
CN-1058012-C Reactive dyes from dioxazine series, their preparation and use CIBA SC HOLDING AG (CH) 2000-11-01 CN disclosed
EP-0785237-A1 Reactive dyes, their preparation and use Ciba SC Holding AG (CH) 1997-07-23 EP disclosed
EP-0776947-A1 Fiber-reactive dyestuffs, their preparation and use Ciba SC Holding AG (CH) 1997-06-04 EP disclosed
EP-0764694-A1 Reactive dyes, their preparation and use thereof Ciba SC Holding AG (CH) 1997-03-26 EP disclosed
EP-0763570-A1 Reactive dyes, their preparation and use thereof Ciba SC Holding AG (CH) 1997-03-19 EP disclosed
CN-1142500-A Reactive dyes from dioxazine series, their preparation and use CIBA GEIGY AG (CH) 1997-02-12 CN disclosed
EP-0739950-A2 Reactive dioxazine dye stuffs, their preparation and use CIBA-GEIGY AG (CH) 1996-10-30 EP disclosed
US-5565553-A CELLULOSIC OR COTTON FIBER-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1996-10-15 US disclosed
EP-0728818-A1 Mixtures of azo dyes and their use CIBA-GEIGY AG (CH) 1996-08-28 EP disclosed
EP-0647683-A1 Reactive dyestuffs, process for their production and their use CIBA-GEIGY AG (CH) 1995-04-12 EP disclosed