SCHEMBL13432972

SCHEMBL13432972

C=COOSc1ccc(O)c(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(S(=O)(=O)CCCOCC)cc4SOOO)c(N)c3c2O)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ ENPP2 Q13822 5/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL13432877 0.95 THRB (0.41) THRBENPP2MEN1HTTKMT2A
SCHEMBL13619189 0.85 THRB (0.41) THRBENPP2MEN1HTTKMT2A
SCHEMBL14159451 0.77 ENPP2 (0.41) THRBENPP2MEN1HTTKMT2A
SCHEMBL13881010 0.74 THRB (0.44) THRBENPP2MEN1HTTKMT2A
SCHEMBL12052837 0.73 THRB (0.52) THRBENPP2MEN1HTTKMT2A
SCHEMBL13432853 0.73 THRB (0.44) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880769 0.73 THRB (0.43) THRBENPP2MEN1HTTKMT2A
SCHEMBL13619110 0.72 THRB (0.40) THRBENPP2MEN1HTTKMT2A
SCHEMBL14159445 0.72 THRB (0.51) THRBENPP2MEN1HTTKMT2A
SCHEMBL13619150 0.71 THRB (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687612-B1 Reactive dyestuff with dialkylether bridge group EVERLIGHT USA, INC. (US) 2010-03-30 — — US disclosed
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