SCHEMBL7760690

SCHEMBL7760690

Cc1ccccc1NCCCS(=O)(=O)CCCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ADRA2C P18825 1/20 0.36
KAT2B Q92831 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
HDAC1 Q13547 2/20 0.34
HPGD P15428 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 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
SCHEMBL7828773 0.91 MAPT (0.56) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL11117714 0.80 MAPT (0.69) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL9852005 0.80 MAPT (0.58) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL7756165 0.78 ALDH1A1 (0.53) MAPTALDH1A1KEAP1MEN1KMT2A
Hydrochloric Acid SCHEMBL9412264 0.76 ALDH1A1 (0.52) MAPTALDH1A1KEAP1MEN1KMT2A
SCHEMBL16281838 0.76 MAPT (0.58) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL7759876 0.76 MAPT (0.53) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL9816682 0.75 MAPT (0.56) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL7762476 0.73 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10795158 0.72 MAPT (0.62) MAPTHTTGAAALDH1A1ADRA2C

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