SCHEMBL14159451

SCHEMBL14159451

C=COOSc1ccc(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(S(=O)(=O)C=C)cc4)c(N)c3c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.41
▸ THRB P10828 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ PTPN11 Q06124 1/20 0.34
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PRMT1 Q99873 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ SLC7A11 Q9UPY5 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
SCHEMBL13619189 0.82 THRB (0.41) ENPP2THRBPHLPP2PTPN11CYP1A2
SCHEMBL13287309 0.81 ENPP2 (0.55) ENPP2THRBPHLPP2PTPN11SUMO2
SCHEMBL13432877 0.81 THRB (0.41) ENPP2THRBPHLPP2PTPN11CYP1A2
SCHEMBL15671895 0.80 THRB (0.55) ENPP2THRBPHLPP2SUMO2SUMO1
SCHEMBL14159445 0.80 THRB (0.51) ENPP2THRBPHLPP2PTPN11SUMO2
SCHEMBL14159454 0.79 THRB (0.41) ENPP2THRBPHLPP2PTPN11SUMO2
SCHEMBL13238843 0.78 ENPP2 (0.51) ENPP2THRBPHLPP2PTPN11SUMO2
SCHEMBL14016316 0.77 ENPP2 (0.48) ENPP2THRBPHLPP2PTPN11SUMO2
SCHEMBL13432972 0.77 THRB (0.36) ENPP2THRBCYP1A2MEN1HTT
SCHEMBL14168654 0.77 ENPP2 (0.57) ENPP2THRBPHLPP2PTPN11SUMO2

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-7387667-B1 Black dye composition and black ink composition EVERLIGHT USA, INC. (US) 2008-06-17 — — US disclosed
US-7288142-B2 Reactive Black 5, monoazo dyes, and surfactants; light-fastness and solubility EVERLIGHT USA, INC. (US) 2007-10-30 — — US disclosed
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