SCHEMBL13599567

SCHEMBL13599567

Nc1c(S(=O)(=O)O)cc2cc(SOOO)cc(O)c2c1/N=N/c1ccc(S(=O)(=O)CCOSOOO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ ENPP2 Q13822 7/20 0.38
▸ SUMO2 P61956 1/20 0.37
▸ SUMO1 P63165 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ CYP1A2 P05177 4/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ PRMT1 Q99873 1/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ DNASE1L3 Q13609 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 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
SCHEMBL12052819 0.85 THRB (0.56) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL13432771 0.84 THRB (0.53) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12052807 0.81 THRB (0.55) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL13880947 0.80 THRB (0.53) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL13340906 0.80 THRB (0.37) THRBSUMO2SUMO1SENP7SENP2
SCHEMBL13998605 0.79 SUMO2 (0.46) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12053411 0.79 THRB (0.43) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL13340498 0.78 THRB (0.51) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12053435 0.77 THRB (0.51) THRBENPP2SUMO2SUMO1SENP7
SCHEMBL12052511 0.77 THRB (0.39) THRBENPP2SUMO2SUMO1SENP7

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-7637964-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR TEXTILFARBEN GMBH & CO. (DE) 2009-12-29 — — US disclosed
US-20080274287-A1 Dye Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-06 — — US disclosed
US-7429279-B2 Dye mixtures of fiber-reactive AZO dyes, their preparation and their use DYSTAR TEXTILFARBEN GMBH + CO. DEUTSCHLAND KG (DE) 2008-09-30 — — US disclosed
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