SCHEMBL12053035

SCHEMBL12053035

CNc1c(/N=N/c2cc(SOOO)ccc2S(=O)(=O)O)cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2)c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ PTPN11 Q06124 1/20 0.33
▸ SLC7A11 Q9UPY5 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
SCHEMBL12053031 1.00 THRB (0.36) THRBPTPN11SLC7A11
SCHEMBL12052511 0.93 THRB (0.39) THRBPTPN11SLC7A11
SCHEMBL12052532 0.89 THRB (0.37) THRBPTPN11SLC7A11
SCHEMBL12052533 0.89 THRB (0.37) THRBPTPN11SLC7A11
SCHEMBL12053044 0.89 THRB (0.38) THRBSLC7A11
SCHEMBL12053051 0.89 THRB (0.38) THRBSLC7A11
SCHEMBL12053049 0.89 THRB (0.38) THRBSLC7A11
SCHEMBL12052874 0.87 PTPN11 (0.40) THRBPTPN11SLC7A11
SCHEMBL12052535 0.85 ENPP2 (0.32) THRBPTPN11
SCHEMBL12053025 0.85 THRB (0.32) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 — — US disclosed
US-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 — — US disclosed
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