SCHEMBL6323178

SCHEMBL6323178

Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL11528477 0.86 CA1 (0.46) CA1CA2CA12CA9CASP6
SCHEMBL7084160 0.85 ALDH1A1 (0.54) CA1CA2CA12CA9CASP6
SCHEMBL6325139 0.85 CA1 (0.60) CA1CA2CA12CA9CASP6
SCHEMBL9320034 0.84 CA1 (0.51) CA1CA2CA12CA9CASP6
SCHEMBL27584195 0.80 CA1 (0.41) CA1CA2CA12CA9CASP6
SCHEMBL24203633 0.80 PRMT1 (0.62) CA1CA2CA12CA9CASP6
SCHEMBL9463823 0.77 CA1 (0.48) CA1CA2CA12CA9CTDSP1
SCHEMBL1357506 0.77 ALDH1A1 (0.56) CA1CA2CA12CA9LMNA
SCHEMBL14388837 0.76 THRB (0.61) CA1CA2PRMT1
SCHEMBL8980024 0.76 MEN1 (0.39) CA1CA2CA12CA9LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101081939-A Black reactive dye and preparation method thereof PINGZHONG CHU (CN) 2007-12-05 CN claimed
US-4334076-A Process for the preparation of sulfuric acid semiester ethylsulfonyl compounds of aminophenols, aminobenzanilides or phenylpyrazolones by esterification with sulfuric acid and/or sulfur trioxide in a kneader HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 US claimed
CN-101081939-A Black reactive dye and preparation method thereof PINGZHONG CHU (CN) 2007-12-05 CN disclosed
US-20050223508-A1 Dye mixtures of fiber reactive azo dyes, production and use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-10-13 US disclosed
US-6946006-B2 Black dye mixtures of fiber-reactive AZO dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-20 US disclosed
EP-1397437-A2 BLACK DYE MIXTURES OF FIBER-REACTIVE AZO DYES AND USE THEREOF FOR DYEING MATERIAL CONTAINING HYDROXY-AND/OR CARBOXAMIDO GROUPS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP disclosed
US-20030140432-A1 Black dye mixtures of fiber-reactive AZO dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2003-07-31 US disclosed
WO-2002098988-A2 BLACK DYE MIXTURES OF FIBER-REACTIVE AZO DYES AND USE THEREOF FOR DYEING MATERIAL CONTAINING HYDROXY-AND/OR CARBOXAMIDO GROUPS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-12-12 WO disclosed
EP-0362557-B1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-01-19 EP disclosed
EP-0360003-B1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-10-27 EP disclosed
EP-0384372-B1 Water soluble azo compounds, methods for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-10-27 EP disclosed
US-5175263-A Dyes for cotton or polyamides HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed
US-5093483-A WATER-SOLUBLE AZO COMPOUNDS HAVING A 6-CARBOXY-2-NAPHTHAL AS COUPLING COMPONENTS, SUITABLE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070189-A ORANGE TO RED SHADES ON CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-4975539-A NEW AZO DYES; WASHFASTNESS; ACID RESISTANCE HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed
US-4581036-A Process for preparing liquid low-salt aqueous reactive dyestuff compositions HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed
US-4334076-A Process for the preparation of sulfuric acid semiester ethylsulfonyl compounds of aminophenols, aminobenzanilides or phenylpyrazolones by esterification with sulfuric acid and/or sulfur trioxide in a kneader HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed