SCHEMBL6821887

SCHEMBL6821887

Nc1c(O)ccc2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HSD17B10 Q99714 5/20 0.59
CASP6 P55212 4/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 2/20 0.57
NT5E P21589 5/20 0.54
NSD2 O96028 4/20 0.50
DUSP3 P51452 2/20 0.50
PTPN5 P54829 2/20 0.50
PTPN11 Q06124 2/20 0.50
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 3/20 0.44
CYP1A2 P05177 2/20 0.44
PTPRA P18433 1/20 0.44
PTPRB P23467 1/20 0.44
HIF1A Q16665 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
GAA P10253 3/20 0.43

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
SCHEMBL3196575 0.88 NT5E (0.61) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11141139 0.86 NT5E (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL10801756 0.86 NT5E (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL6051257 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL31635713 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30585296 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30639251 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1755223 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL6412435 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11125812 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737517-B2 AZO GROUP CONTAINING TRANSITION METAL COMPLEX DYE EXHIBITS A GOOD ACHROMATICITY AS WELL AS A GOOD LIGHT-RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-18 US disclosed
US-20030149251-A1 Metal chelated azo dyestuff for inkjet recording and recording liquid for inkjet and inkjet recording method using same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-07 US disclosed
EP-1260556-A1 METAL CHELATE AZO DYE FOR INK-JET RECORDING, INK-JET RECORDING FLUID CONTAINING THE SAME, AND METHOD OF INK-JET RECORDING MITSUBISHI CHEMICAL CORPORATION (JP) 2002-11-27 EP disclosed
US-5256773-A Copper complexes of 4-fluoro-5-chloropyrimidin-6-yl containing ractive mondazo dyes BAYER AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5204453-A Process for the preparation of 1:2 metal complex azo compounds by carrying out diazotization and coupling in the presence of a metal donor CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0278910-B1 HEAVY METAL COMPLEX DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-01-22 EP disclosed
EP-0457141-A2 Reactive dyes BAYER AG (DE) 1991-11-21 EP disclosed
EP-0241414-B1 PROCESS FOR THE PREPARATION OF 1:2 METAL COMPLEX AZO DYES CIBA-GEIGY AG (CH) 1991-05-08 EP disclosed
US-5001227-A Fibre-reactive 1:1 chromium complex azo or azomethine dyes having a bidentate chelating group and a monofunctional neutral ligand CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed
US-4990598-A Colorfastness CIBA-GEIGY CORPORATION, A CORP. OF NEW YORK 1991-02-05 US disclosed
EP-0093369-B1 REACTIVE DYES BAYER AG (DE) 1986-07-23 EP disclosed
EP-0185611-A1 Process for the photochemical stabilisation of synthetic fibrous materials containing polyamide fibres CIBA-GEIGY AG (CH) 1986-06-25 EP disclosed
EP-0079563-B1 WATER SOLUBLE 1:2 METAL COMPLEX AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-08 EP disclosed
EP-0159962-A2 Fibre-reactive chromium or cobalt complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-30 EP disclosed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP disclosed
EP-0141416-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
EP-0093369-A2 Reactive dyes BAYER AG (DE) 1983-11-09 EP disclosed
EP-0079563-A2 Water soluble 1:2 metal complex azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-25 EP 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