SCHEMBL7828773

SCHEMBL7828773

Cc1ccccc1NCCS(=O)(=O)CCCl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.40
ADRA2C P18825 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA2B P18089 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
POLB P06746 2/20 0.35
GRK2 P25098 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7760690 0.91 MAPT (0.53) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL16281838 0.85 MAPT (0.58) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL9816682 0.84 MAPT (0.56) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL10616406 0.79 MAPT (0.50) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL10795158 0.78 MAPT (0.62) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL7837359 0.76 ALDH1A1 (0.47) MAPTALDH1A1KEAP1MEN1KMT2A
SCHEMBL11117714 0.75 MAPT (0.69) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL10384785 0.75 MAPK14 (0.41) ALDH1A1
SCHEMBL7840796 0.74 MAPT (0.56) MAPTHTTGAAALDH1A1ADRA2C
SCHEMBL76608 0.74 MAPT (1.00) 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
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-0675172-A2 Water-solable azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-04 EP disclosed
EP-0382111-B1 Copper complex-formazane compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-06-08 EP disclosed
US-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-4908436-A Reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
US-4841028-A FOR COLD PAD-BATCH PROCESS HUNTSMAN INTERNATIONAL LLC 1989-06-20 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed