SCHEMBL7212263

SCHEMBL7212263

COc1cc(S(=O)(=O)O)c([NH])cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.42
GSK3B P49841 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MPL P40238 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 3/20 0.35
NPBWR1 P48145 1/20 0.35
CASR P41180 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL8089403 0.89 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ALMNAPKM
SCHEMBL9638669 0.89 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ALMNAPKM
SCHEMBL1888725 0.88 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ALMNAPKM
SCHEMBL9774295 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ALMNAPKM
SCHEMBL10799051 0.81 MYC (0.34) ALDH1A1LMNAHIF1ATSHRSMN1; SMN2
SCHEMBL7759862 0.80 HSD17B10 (0.41) ALDH1A1MAPTLMNATRPV4KDM4E
SCHEMBL10231835 0.78 KMT2A (0.45) ALDH1A1MAPTKMT2ALMNAPKM
SCHEMBL343857 0.78 KMT2A (0.41) ALDH1A1MAPTKMT2ALMNAPKM
SCHEMBL1755131 0.77 PKM (0.55) ALDH1A1MAPTKMT2ALMNAPKM
SCHEMBL4650366 0.77 PKM (0.70) ALDH1A1MAPTKMT2ALMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP claimed
EP-0697443-A2 Triphendioxazine reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 EP claimed
EP-1061105-B1 Fibre-reactive dyes, process for their preparation and the use thereof CIBA SC HOLDING AG (CH) 2003-06-25 EP disclosed
EP-0739950-B1 Reactive dioxazine dye stuffs, their preparation and use CIBA SC HOLDING AG (CH) 2002-09-18 EP disclosed
EP-0755985-B1 Dye mixtures, process to manufacture them and their use CIBA SC HOLDING AG (CH) 2002-05-15 EP disclosed
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP disclosed
EP-1061105-A1 Fibre-reactive dyes, process for their preparation and the use thereof Ciba SC Holding AG (CH) 2000-12-20 EP disclosed
US-5989297-A TRIAZINYL DERIVATIVE FIBER-REACTIVE DYE MIXTURE HAVING IMPROVED COLOR STRENGTH, COLORFASTNESS, WASHFASTNESS, CHEMICAL RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-23 US disclosed
US-5772698-A Reactive dyes from the dioxazine series, their preparation and use CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-06-30 US disclosed
EP-0755985-A2 Dye mixtures, process to manufacture them and their use Ciba SC Holding AG (CH) 1997-01-29 EP disclosed
EP-0739950-A2 Reactive dioxazine dye stuffs, their preparation and use CIBA-GEIGY AG (CH) 1996-10-30 EP disclosed
EP-0697443-A2 Triphendioxazine reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 EP disclosed
US-5136028-A Red; colorfastness CIBA-GEIGY CORPORATION (US) 1992-08-04 US disclosed
EP-0428482-A1 Reactive dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1991-05-22 EP disclosed