SCHEMBL7759380

SCHEMBL7759380

C=CS(=O)(=O)CCCNc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 2/20 0.53
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
TGM2 P21980 1/20 0.34
CA1 P00915 3/20 0.34
DRD4 P21917 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
SCHEMBL7839373 0.93 ALDH1A1 (0.52) ALDH1A1MAPTCA2CA12CA9
SCHEMBL8019400 0.83 APP (0.41) ALDH1A1MAPTCA2CA12CA9
SCHEMBL7756121 0.83 RHOC (0.38) ALDH1A1MAPTCA2CA12CA9
SCHEMBL7041860 0.83 ALDH1A1 (0.33) ALDH1A1MAPTCA2CA12CA9
SCHEMBL7759383 0.82 TDP1 (0.43) ALDH1A1MAPTCA2CA12CA9
SCHEMBL7759859 0.81 CA1 (0.40) ALDH1A1CA2CA12CA9CA1
SCHEMBL7756139 0.80 GAA (0.54) ALDH1A1MAPTCA2CA12CA9
SCHEMBL7759876 0.78 MAPT (0.53) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL12311256 0.77 ALDH1A1 (0.59) ALDH1A1MAPTCA2CA12CA9
SCHEMBL246721 0.77 ALDH1A1 (0.59) ALDH1A1MAPTCA2CA12CA9

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 12 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-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
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-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