SCHEMBL7840916

SCHEMBL7840916

CCCCNCCS(=O)(=O)CCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
RELA Q04206 4/20 0.37
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR4 O95977 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32

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
SCHEMBL9551399 0.94 ALDH1A1 (0.50) TSHRALDH1A1CA1CA2CA12
SCHEMBL10391845 0.92 ALDH1A1 (0.48) TSHRALDH1A1CA1CA2RELA
SCHEMBL10392847 0.92 ALDH1A1 (0.48) TSHRALDH1A1CA1CA2RELA
SCHEMBL10391711 0.92 ALDH1A1 (0.48) TSHRALDH1A1CA1CA2RELA
SCHEMBL10391834 0.92 ALDH1A1 (0.48) TSHRALDH1A1CA1CA2RELA
SCHEMBL10533377 0.92 ALDH1A1 (0.48) TSHRALDH1A1CA1CA2RELA
SCHEMBL7838238 0.92 TSHR (0.41) TSHRALDH1A1CA1CA2CA12
SCHEMBL7838213 0.88 CA1 (0.36) CA1ADH1BADH1AADH7
SCHEMBL9337359 0.85
SCHEMBL7760484 0.85

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