SCHEMBL7756142

SCHEMBL7756142

O=S(=O)(CCCl)CCCNc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PRMT1 Q99873 1/20 0.37
PRSS1 P07477 6/20 0.36
LMNA P02545 1/20 0.35
F2 P00734 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
TMPRSS6 Q8IU80 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
MAPT P10636 2/20 0.35
TYMS P04818 1/20 0.34
TSHR P16473 1/20 0.34
NT5E P21589 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7843420 0.91 PRMT1 (0.39) ALDH1A1PRMT1LMNATYMSTSHR
SCHEMBL7760685 0.83 CA1 (0.40) ALDH1A1LMNAMAPTTSHRCA12
SCHEMBL7759904 0.83 RHOC (0.39) ALDH1A1LMNAMAPTCA12CA1
SCHEMBL6473074 0.82 ALDH1A1 (0.38) ALDH1A1PRSS1LMNAF2PRSS2
SCHEMBL8019236 0.81 APP (0.37) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL7756165 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPTCA12CA1
Hydrochloric Acid SCHEMBL9412264 0.80 ALDH1A1 (0.52) ALDH1A1LMNAMAPTCA12CA1
SCHEMBL7762476 0.80 ALDH1A1 (0.52) ALDH1A1LMNAMAPTCA12CA1
SCHEMBL10383432 0.79 PRSS1 (0.44) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL10384695 0.78 PRSS1 (0.46) ALDH1A1PRSS1F2PRSS2PRSS3

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
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
EP-0628606-B1 Triphendioxazine compounds, process for their preparation and their use as dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-08-23 EP 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
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
US-5484458-A POLYAMIDES OR CELLULOSE FIBERS HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-16 US 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
EP-0628606-A1 Triphendioxazine compounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-14 EP disclosed