SCHEMBL13340498

SCHEMBL13340498

Nc1c(/N=N/c2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2)c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3ccc(S(=O)(=O)CCOSOOO)cc3)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.51
▸ ENPP2 Q13822 8/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ CA2 P00918 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ GLO1 Q04760 1/20 0.31
▸ SUMO2 P61956 1/20 0.31
▸ SUMO1 P63165 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP2 Q9HC62 1/20 0.31
▸ PTPN11 Q06124 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ DNASE1L3 Q13609 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
SCHEMBL12377661 0.96 THRB (0.55) THRBENPP2PHLPP2CA2CYP1A2
SCHEMBL13340705 0.96 THRB (0.55) THRBENPP2PHLPP2CA2CYP1A2
SCHEMBL12052807 0.96 THRB (0.55) THRBENPP2PHLPP2CA2CYP1A2
SCHEMBL12053435 0.92 THRB (0.51) THRBENPP2PHLPP2CA2CYP1A2
SCHEMBL13340942 0.92 THRB (0.43) THRBENPP2PHLPP2CYP1A2PTPN11
SCHEMBL14011841 0.91 THRB (0.57) THRBENPP2PHLPP2CA2CYP1A2
SCHEMBL14362740 0.91 THRB (0.49) THRBENPP2PHLPP2CA2CYP1A2
SCHEMBL13340924 0.91 THRB (0.47) THRBENPP2PHLPP2CA2CA3
SCHEMBL13292117 0.90 THRB (0.46) THRBENPP2PHLPP2CYP1A2PTPN11
SCHEMBL12053428 0.89 THRB (0.48) THRBENPP2PHLPP2CA2CYP1A2

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 3 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
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