SCHEMBL7840702

SCHEMBL7840702

C=CS(=O)(=O)CCNc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
APLNR P35414 1/20 0.44
PKM P14618 1/20 0.44
TGM2 P21980 1/20 0.44
PPARG P37231 1/20 0.43
APP P05067 1/20 0.43
RPS6KA2 Q15349 1/20 0.42
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7756139 0.94 GAA (0.54) GAAMAPTALDH1A1CA1CA2
SCHEMBL4410568 0.80 GAA (0.66) GAAMAPTALDH1A1CA1CA2
SCHEMBL6561224 0.79 APP (0.42) MAPTALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL9735996 0.79 GAA (0.63) GAAMAPTALDH1A1CA1CA2
SCHEMBL7836779 0.79 CA1 (0.39) GAAMAPTALDH1A1CA1CA2
SCHEMBL7839373 0.78 ALDH1A1 (0.52) MAPTALDH1A1CA1CA2CA12
SCHEMBL7838566 0.78 TDP1 (0.46) ALDH1A1CA1CA2CA12CA9
SCHEMBL917492 0.76 GAA (0.59) GAAMAPTALDH1A1CA1CA2
SCHEMBL6562101 0.76 CA1 (0.34) MAPTALDH1A1CA1CA2CA12
SCHEMBL1030950 0.75 GAA (1.00) GAAMAPTALDH1A1CA1CA2

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 5 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
CN-1108674-A Water-soluble azo compounds, preparation thereof, and use thereof as dyes HOECHST AG (DE) 1995-09-20 CN disclosed