SCHEMBL7759904

SCHEMBL7759904

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 2/20 0.39
RHOA P61586 2/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CES1 P23141 2/20 0.37
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
CA12 O43570 2/20 0.33
CA7 P43166 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STK17A Q9UEE5 1/20 0.33
DRD2 P14416 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
SCHEMBL7839536 0.90 CA1 (0.40) RHOCRHOACA1CA2CES1
SCHEMBL8019236 0.85 APP (0.37) CA1CA2ALDH1A1MAPTCA12
SCHEMBL7756165 0.85 ALDH1A1 (0.53) CA1CA2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9412264 0.83 ALDH1A1 (0.52) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL7756142 0.83 ALDH1A1 (0.39) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL7777221 0.82 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL7756137 0.81 GAA (0.54) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL10383432 0.80 PRSS1 (0.44) CA1CA2ALDH1A1CA12SMN1; SMN2
SCHEMBL7762476 0.80 ALDH1A1 (0.52) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL11300549 0.79 CA1 (0.48) RHOCRHOACA1CA2CES1

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