SCHEMBL12053206

SCHEMBL12053206

Nc1cc(O)c(/N=N/c2cc(SOOO)ccc2S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOSOOO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.39
▸ THRB P10828 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ SLC7A11 Q9UPY5 1/20 0.33
▸ BRD4 O60885 4/20 0.32
▸ BRD3 Q15059 2/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.31
▸ CREBBP Q92793 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SMARCA4 P51532 1/20 0.31
▸ BPTF Q12830 1/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ BRD7 Q9NPI1 1/20 0.31
▸ BAZ2B Q9UIF8 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.30

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
SCHEMBL12053154 0.95 PTPN11 (0.39) PTPN11THRBPHLPP2SLC7A11CYP1A2
SCHEMBL12053231 0.94 PTPN11 (0.41) PTPN11THRBSLC7A11AMY1ACA1
SCHEMBL12053253 0.89 PTPN11 (0.43) PTPN11THRBSLC7A11HSD17B10KDM4E
SCHEMBL12053194 0.88 THRB (0.39) THRBPHLPP2BRD4BRD3BRD2
SCHEMBL12052511 0.86 THRB (0.39) PTPN11THRBPHLPP2SLC7A11CYP1A2
SCHEMBL12052874 0.85 PTPN11 (0.40) PTPN11THRBSLC7A11CA2
SCHEMBL12053326 0.85 PTPN11 (0.37) PTPN11THRBPHLPP2SLC7A11CYP1A2
SCHEMBL12052869 0.85 THRB (0.39) THRBPHLPP2BRD4BRD3BRD2
SCHEMBL12053192 0.83 BRD4 (0.36) THRBPHLPP2BRD4CREBBPTP53
SCHEMBL12053403 0.83 THRB (0.39) PTPN11THRBPHLPP2SLC7A11BRD4

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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