SCHEMBL8043759

SCHEMBL8043759

Nc1ccc(S(=O)(=O)O)c(N)c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
TTR P02766 1/20 0.42
NQO1 P15559 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
NT5E P21589 2/20 0.37
DAPK1 P53355 1/20 0.36
HSD17B10 Q99714 4/20 0.35
GAA P10253 2/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 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
SCHEMBL15309350 0.89 DAPK1 (0.43) AURKAAURKBTTRALDH1A1TSHR
SCHEMBL10548795 0.86 AURKA (0.47) AURKAAURKBTTRNQO1ALDH1A1
SCHEMBL2596490 0.84 AURKA (0.46) AURKAAURKBTTRNQO1ALDH1A1
SCHEMBL30035234 0.84 AURKA (0.46) AURKAAURKBTTRNQO1ALDH1A1
SCHEMBL5181911 0.84 ALDH1A1 (0.41) AURKAAURKBTTRNQO1ALDH1A1
SCHEMBL9680157 0.82 AURKA (0.47) AURKAAURKBTTRNQO1ALDH1A1
SCHEMBL27881048 0.81 TTR (0.46) AURKAAURKBTTRNQO1ALDH1A1
SCHEMBL8164868 0.81 ALDH1A1 (0.46) AURKAAURKBTTRNQO1ALDH1A1
SCHEMBL8755118 0.81 AURKA (0.43) AURKAAURKBTTRNQO1ALDH1A1
SCHEMBL11810695 0.79 AURKA (0.42) AURKAAURKBTTRNQO1ALDH1A1

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
WO-2013018071-A2 FIBRE REACTIVE AZO REACTIVE COLORANTS CONTAINING TWO REACTIVE GROUPS OF THE VINYLSULFONE TYPE, PRODUCTION AND USE THEREOF COLOURTEX INDUSTRIES LIMITED (IN) 2013-02-07 WO disclosed
US-6046311-A Water-soluble fiber-reactive dyes, preparation thereof and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-04-04 US disclosed
EP-0962501-A2 Mixtures of reactive dyes and their use for dyeing material containing hydroxy and/or carbonamide groups DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1999-12-08 EP disclosed
EP-0416363-A2 Modification of Polyarylenesulfides BAYER AG (DE) 1991-03-13 EP disclosed
EP-0093369-B1 REACTIVE DYES BAYER AG (DE) 1986-07-23 EP disclosed
EP-0093369-A2 Reactive dyes BAYER AG (DE) 1983-11-09 EP disclosed
EP-0001451-B1 WATER-SOLUBLE AZO-PHTHALOCYANINE FIBRE-REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1981-09-23 EP disclosed
EP-0001614-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their application, as well as the phthalocyanine pyrazolone intermediates and their preparation CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
EP-0001451-A1 Water-soluble azo-phthalocyanine fibre-reactive dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-04-18 EP disclosed