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Sugi Predict / Compounds / SCHEMBL13996418

SCHEMBL13996418

SCHEMBL13996418

Nc1c(/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)cc1SOOO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ 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
SCHEMBL12052520 0.96 THRB (0.38) ENPP2THRBPHLPP2
SCHEMBL12052809 0.94 ENPP2 (0.36) ENPP2THRBPHLPP2
SCHEMBL12052521 0.94 ENPP2 (0.30) ENPP2
SCHEMBL12052811 0.90 THRB (0.42) ENPP2THRBPHLPP2
SCHEMBL12052516 0.90 THRB (0.42) ENPP2THRBPHLPP2
SCHEMBL12052817 0.90 ENPP2 (0.34) ENPP2THRBPHLPP2
SCHEMBL12052535 0.90 ENPP2 (0.32) ENPP2THRBPHLPP2
SCHEMBL12052860 0.89 PHLPP2 (0.41) ENPP2THRBPHLPP2
SCHEMBL12052821 0.88 ENPP2 (0.33) ENPP2THRBPHLPP2
SCHEMBL12052857 0.88 SENP2 (0.37) ENPP2THRBPHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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