SCHEMBL13069904

SCHEMBL13069904

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.62
▸ ENPP2 Q13822 9/20 0.54
▸ CYP1A2 P05177 3/20 0.50
▸ PRMT1 Q99873 1/20 0.48
▸ PHLPP2 Q6ZVD8 1/20 0.48
▸ SUMO2 P61956 1/20 0.47
▸ SUMO1 P63165 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP2 Q9HC62 1/20 0.47
▸ CYP2C9 P11712 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DNASE1L3 Q13609 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ NT5E P21589 1/20 0.39

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
SCHEMBL7977352 1.00 THRB (0.62) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL6697880 0.91 THRB (0.60) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL1755507 0.90 THRB (0.75) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL12955080 0.90 THRB (0.75) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL31122162 0.90 THRB (0.75) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL10978914 0.90 THRB (0.50) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL21221487 0.89 THRB (0.74) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL2304017 0.89 THRB (0.74) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL14495135 0.89 THRB (0.68) THRBENPP2CYP1A2PRMT1PHLPP2
SCHEMBL13069596 0.89 CYP1A2 (0.51) THRBENPP2CYP1A2PRMT1PHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035507-B1 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR COLOURS DEUTSCHLAND GMB (DE) 2010-11-17 — — EP disclosed
WO-2010057830-A1 RING FLUORINATED REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-05-27 — — WO disclosed
US-20080280053-A1 Reactive Dyes Containing Divalent Sulfur in Non-Reactive Side Chain at Trizine Nucleus DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-13 — — US disclosed
WO-2007147774-A2 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 — — WO 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
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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