SCHEMBL13340702

SCHEMBL13340702

Nc1c(S(=O)(=O)O)cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2)c(NCS(=O)(=O)O)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.39
▸ ENPP2 Q13822 1/20 0.35
▸ SUMO2 P61956 2/20 0.32
▸ SUMO1 P63165 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ SENP2 Q9HC62 2/20 0.32
▸ SENP1 Q9P0U3 1/20 0.32
▸ SLC7A11 Q9UPY5 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ APP P05067 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12053411 0.89 THRB (0.43) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12052875 0.85 ENPP2 (0.44) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12053051 0.82 THRB (0.38) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12053049 0.82 THRB (0.38) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12053044 0.82 THRB (0.38) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL13340704 0.82 THRB (0.35) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL13340697 0.81 THRB (0.38) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12052811 0.81 THRB (0.42) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12052516 0.81 THRB (0.42) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12053031 0.80 THRB (0.36) THRBSLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7708786-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-05-04 — — US disclosed
US-20090025152-A1 DYE MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-01-29 — — US disclosed
US-7455699-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-25 — — US disclosed
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