SCHEMBL4698065

SCHEMBL4698065

Cc1cc(-c2cc(C)c(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TP53 P04637 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 2/20 0.43
HSD17B10 Q99714 2/20 0.43
APP P05067 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
SNCA P37840 1/20 0.43

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
SCHEMBL4699746 0.88 ALDH1A1 (0.55) ALDH1A1TP53TDP1CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL7553589 0.87 ALDH1A1 (0.53) ALDH1A1TP53TDP1CYP3A4TSHR
Trimethylammonium SCHEMBL7549798 0.84 ALDH1A1 (0.50) ALDH1A1TP53TDP1CYP3A4TSHR
SCHEMBL30922153 0.83 ALDH1A1 (0.46) ALDH1A1TP53TDP1CYP3A4TSHR
SCHEMBL29633914 0.83 KDM4E (0.52) ALDH1A1TP53TDP1CYP3A4TSHR
SCHEMBL10847621 0.83 ALDH1A1 (0.46) ALDH1A1TP53TDP1CYP3A4TSHR
SCHEMBL1364945 0.83 KDM4E (0.52) ALDH1A1TP53TDP1CYP3A4TSHR
Sulfuric Acid SCHEMBL8521097 0.82 ALDH1A1 (0.70) ALDH1A1TP53TDP1CYP3A4TSHR
SCHEMBL6931230 0.82 ENPP2 (0.41) ALDH1A1TP53TDP1CYP3A4TSHR
SCHEMBL8990126 0.80 CA1 (0.39) ALDH1A1TP53TDP1CYP3A4TSHR

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 EP disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 EP disclosed
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 EP disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-6159250-A Doubled reactive dyes BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
EP-0733680-B1 Reactive dyes with a benzo-anellated heterocycle as reactive group BASF AG (DE) 2000-01-05 EP disclosed
US-5929217-A FOR DYEING OR PRINTING SUBSTRATES HAVING HYDROXYL GROUPS OR NITROGEN ATOMS BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
EP-0799260-B1 PROCESS FOR PREPARING DYED MELAMINE-FORMALDEHYDE CONDENSATION PRODUCTS BASF AG (DE) 1999-05-06 EP disclosed
US-5837013-A Preparation of colored melamine-formaldehyde condensation products BASF AKTIENGESELLSCHAFT (DE) 1998-11-17 US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0492236-A1 Reactive dyes with alkenylsulphonyl or alkinylsulphonyl groups serving as anchor BASF Aktiengesellschaft (DE) 1992-07-01 EP disclosed
EP-0433821-A1 Reactive dyes having an anchor on basis of alkenylsulfonyl and benzyl compounds as their intermediates BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-5003049-A Fiber-Reactive Dyes for Hydroxy Textiles BASF AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed
EP-0352682-A2 Twice reactive dyes and benzyl compounds as their intermediary products BASF Aktiengesellschaft (DE) 1990-01-31 EP disclosed
US-4677199-A Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals BASF AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
US-4649193-A COTTON, WOOL, POLYAMIDES; COLOR-AND WASH FASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-10 US disclosed
US-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed
US-4242258-A TETRAKISAZO, BLACK HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed