SCHEMBL12052811

SCHEMBL12052811

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2)cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.42
▸ ENPP2 Q13822 3/20 0.41
▸ PHLPP2 Q6ZVD8 3/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ APP P05067 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SENP2 Q9HC62 4/20 0.35
▸ SENP1 Q9P0U3 3/20 0.35
▸ SUMO2 P61956 2/20 0.35
▸ SUMO1 P63165 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SLC7A11 Q9UPY5 3/20 0.34

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
SCHEMBL12052516 1.00 THRB (0.42) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12052875 0.97 ENPP2 (0.44) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12052809 0.96 ENPP2 (0.36) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12052520 0.94 THRB (0.38) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12052533 0.93 THRB (0.37) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12052532 0.93 THRB (0.37) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12053044 0.92 THRB (0.38) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12053051 0.92 THRB (0.38) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12053049 0.92 THRB (0.38) THRBENPP2PHLPP2MEN1ALDH1A1
SCHEMBL12053411 0.92 THRB (0.43) THRBENPP2PHLPP2MEN1ALDH1A1

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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