SCHEMBL7760688

SCHEMBL7760688

C=CS(=O)(=O)CCC[N]c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL7843604 0.89 POLB (0.35) CA2POLBCYP2D6
SCHEMBL7840012 0.83 CA12 (0.33) CA2
SCHEMBL7839760 0.82 TDP1 (0.43) POLBCYP2D6
SCHEMBL7759866 0.81 TDP1 (0.38) CA2POLBCYP2D6
SCHEMBL7836795 0.80 APLNR (0.42) CA2
SCHEMBL7837641 0.78 KEAP1 (0.34) KEAP1NFE2L2
SCHEMBL7756158 0.72 CA2 (0.33) CA2POLBCYP2D6KEAP1NFE2L2
SCHEMBL7839192 0.72 CA12 (0.34) CA2
SCHEMBL7843599 0.71 TDP1 (0.46) POLBCYP2D6
SCHEMBL7864715 0.71 NPC1 (0.30) POLB

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 13 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-0773264-B1 Process for the preparation of triphenodioxazine dyes amidated on both sides and triphenodioxazine dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-10-10 EP disclosed
EP-0675172-B1 Water-solable azo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-11 EP disclosed
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP disclosed
US-5944854-A LEUCO DYES DYSTAR TEXTILFARBEN GMBH & CO. (DE) 1999-08-31 US disclosed
US-5770709-A BRILLIANT COLOR SHADES, GOOD FASTNESS DURING USE AT HIGH DEGREE OF FIXING DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 1998-06-23 US disclosed
EP-0629667-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1998-02-25 EP disclosed
US-5696258-A REDUCING TO LEUCO FORM; REOXIDATION DYSTAR TEXTILFARBEN GMBH (DE) 1997-12-09 US disclosed
EP-0773264-A1 Process for the preparation of triphenodioxazine dyes amidated on both sides and triphenodioxazine dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-05-14 EP disclosed
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
EP-0697443-A2 Triphendioxazine reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 EP disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP disclosed