SCHEMBL4699746

SCHEMBL4699746

Cc1cc(-c2cc(C)c(N)c(S(=O)(=O)O)c2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 6/20 0.55
TDP1 Q9NUW8 5/20 0.55
TSHR P16473 4/20 0.55
TP53 P04637 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
THRB P10828 4/20 0.46
HPGD P15428 4/20 0.46
RECQL P46063 4/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 3/20 0.46
MAPK1 P28482 3/20 0.46
BLM P54132 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 2/20 0.46
BRCA1 P38398 2/20 0.46
APP P05067 2/20 0.46
SNCA P37840 2/20 0.46
CYP2D6 P10635 1/20 0.46

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
Ammonia Solution, Strong SCHEMBL7553589 0.98 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRTP53
Trimethylammonium SCHEMBL7549798 0.95 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL7550078 0.90 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL4698065 0.88 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL7555687 0.86 CYP3A4 (0.41) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL7554798 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1TSHRTP53
Orthotolidine SCHEMBL8642304 0.82 CYP3A4 (0.74) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL1270034 0.78 CYP3A4 (0.81) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL2802991 0.78 KMT2A (0.50) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL4651598 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114361469-A Fuel cell catalyst layer and fuel cell 北京理工大学 2022-04-15 CN claimed
CN-114361469-B Fuel cell catalytic layer and fuel cell 北京理工大学 2024-04-12 CN disclosed
CN-114361469-A Fuel cell catalyst layer and fuel cell 北京理工大学 2022-04-15 CN disclosed
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
EP-0045488-B1 WATER-SOLUBLE FIBRE-REACTIVE COMPOUNDS AND THEIR USE IN FINISHING TEXTILES, AS WELL AS THE BETA-CHLOROETHYL-SULFONYL-METHYL-BENZOIC-ACID HALOGENIDES, AND THEIR USE AS A FIBRE-REACTIVE ANCHOR HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-19 EP disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP 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
EP-0040806-B1 WATER-SOLUBLE, COLOURED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-19 EP disclosed
EP-0012969-B1 WATER-SOLUBLE FIBRE-REACTIVE COMPOUNDS AND THEIR USE IN FIBRE FINISHING,ESPECIALLY AS DYESTUFFS,AND DIHALOGENO-PYRIDAZONYL-CARBOXYLIC AND SULFONIC ACID HALIDES AND THEIR USE AS FIBRE-REACTIVE ANCHORS,AS WELL AS PROCESS FOR THE PREPARATION OF THESE COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1983-06-08 EP disclosed
EP-0045488-A2 Water-soluble fibre-reactive compounds and their use in finishing textiles, as well as the beta-chloroethyl-sulfonyl-methyl-benzoic-acid halogenides, and their use as a fibre-reactive anchor HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-10 EP disclosed
EP-0040806-A2 Water-soluble, coloured compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-02 EP disclosed
US-4242258-A TETRAKISAZO, BLACK HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
EP-0012969-A2 Water-soluble fibre-reactive compounds and their use in fibre finishing,especially as dyestuffs,and dihalogeno-pyridazonyl-carboxylic and sulfonic acid halides and their use as fibre-reactive anchors,as well as process for the preparation of these compound HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 EP disclosed