SCHEMBL15835815

SCHEMBL15835815

COc1cc(N=Nc2ccc(CCCOS(=O)(=O)O)cc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1c(N)c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.41
▸ THRB P10828 2/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32

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
SCHEMBL15835810 0.97 ENPP2 (0.40) ENPP2THRBPHLPP2CA2CA3
SCHEMBL16309282 0.93 ENPP2 (0.43) ENPP2THRBPHLPP2CA2CA3
SCHEMBL15835809 0.92 ENPP2 (0.38) ENPP2THRBPHLPP2CA2CA3
SCHEMBL15835813 0.89 PHLPP2 (0.42) ENPP2THRBPHLPP2MAPTMAPK1
SCHEMBL15835811 0.87 PHLPP2 (0.36) ENPP2THRBPHLPP2
SCHEMBL15835814 0.82 PHLPP2 (0.41) ENPP2THRBPHLPP2ALDH1A1
SCHEMBL15835812 0.81 PHLPP2 (0.40) ENPP2THRBPHLPP2MAPTMEN1
SCHEMBL14134309 0.81 ENPP2 (0.36) ENPP2THRB
SCHEMBL24019208 0.81 PHLPP2 (0.42) ENPP2THRBPHLPP2MAPTMAPK1
SCHEMBL24019203 0.80 THRB (0.45) 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-20140173835-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INTERNATIONAL LLC (US) 2014-06-26 — — US disclosed
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