SCHEMBL16309282

SCHEMBL16309282

COc1cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(NC(C)=O)cc1/N=N/c1c(N)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(N)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.43
▸ THRB P10828 2/20 0.38
▸ PHLPP2 Q6ZVD8 3/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC10A1 Q14973 1/20 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
SCHEMBL15835815 0.93 ENPP2 (0.41) ENPP2THRBPHLPP2CA2CA3
SCHEMBL15835810 0.91 ENPP2 (0.40) ENPP2THRBPHLPP2CA2CA3
SCHEMBL24019203 0.87 THRB (0.45) ENPP2THRBPHLPP2CA2CA3
SCHEMBL14134309 0.87 ENPP2 (0.36) ENPP2THRB
SCHEMBL15835809 0.85 ENPP2 (0.38) ENPP2THRBPHLPP2CA2CA3
SCHEMBL14134072 0.85 ENPP2 (0.36) ENPP2PHLPP2
SCHEMBL24019208 0.84 PHLPP2 (0.42) ENPP2THRBPHLPP2MAPTKDM4E
SCHEMBL17384289 0.84 THRB (0.45) ENPP2THRBPHLPP2CA2CA3
SCHEMBL14159105 0.82 PHLPP2 (0.53) ENPP2THRBPHLPP2MAPTMEN1
SCHEMBL14546978 0.82 ENPP2 (0.51) ENPP2THRBPHLPP2CA2CA3

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-8911509-B2 Mixtures of fibre-reactive dyes and their use in a method for di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2014-12-16 — — US disclosed
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