SCHEMBL13340503

SCHEMBL13340503

COc1cc(S(=O)(=O)CCOSOOO)c(C)cc1/N=N/c1c(SOOO)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(N)c2c1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ ENPP2 Q13822 8/20 0.38
▸ PTPN1 P18031 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PHLPP2 Q6ZVD8 3/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL12053454 0.95 THRB (0.48) THRBENPP2MEN1HTTKMT2A
SCHEMBL12053429 0.95 THRB (0.48) THRBENPP2MEN1HTTKMT2A
SCHEMBL13340527 0.95 ENPP2 (0.38) THRBENPP2PTPN1MEN1HTT
SCHEMBL12053497 0.94 THRB (0.40) THRBENPP2PTPN1MEN1HTT
SCHEMBL13340713 0.93 ENPP2 (0.37) THRBENPP2PTPN1MEN1HTT
SCHEMBL13340484 0.93 ENPP2 (0.37) THRBENPP2PTPN1MEN1HTT
SCHEMBL13340917 0.92 THRB (0.48) THRBENPP2MEN1HTTKMT2A
SCHEMBL12053428 0.92 THRB (0.48) THRBENPP2MEN1HTTKMT2A
SCHEMBL12377650 0.90 THRB (0.51) THRBENPP2PTPN1MEN1HTT
SCHEMBL13340938 0.90 THRB (0.43) THRBENPP2MEN1HTTKMT2A

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 4 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
US-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
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