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Sugi Predict / Compounds / SCHEMBL12053025

SCHEMBL12053025

SCHEMBL12053025

CNc1c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ PHLPP2 Q6ZVD8 1/20 0.31

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
SCHEMBL12053051 0.96 THRB (0.38) THRBENPP2PHLPP2
SCHEMBL12053044 0.96 THRB (0.38) THRBENPP2PHLPP2
SCHEMBL12053049 0.96 THRB (0.38) THRBENPP2PHLPP2
SCHEMBL12053076 0.95 — —
SCHEMBL12053068 0.95 — —
SCHEMBL12052809 0.92 ENPP2 (0.36) THRBENPP2PHLPP2
SCHEMBL12053083 0.91 ENPP2 (0.30) ENPP2
SCHEMBL14546918 0.91 THRB (0.36) THRBENPP2PHLPP2
SCHEMBL12053087 0.89 ENPP2 (0.43) THRBENPP2PHLPP2
SCHEMBL12052860 0.89 PHLPP2 (0.41) THRBENPP2PHLPP2

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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