SCHEMBL15835813

SCHEMBL15835813

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.42
▸ THRB P10828 3/20 0.36
▸ ENPP2 Q13822 8/20 0.36
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC10A1 Q14973 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
SCHEMBL15835814 0.93 PHLPP2 (0.41) PHLPP2THRBENPP2ALDH1A1HIF1A
SCHEMBL15835810 0.92 ENPP2 (0.40) PHLPP2THRBENPP2ALDH1A1CYP3A4
SCHEMBL15835815 0.89 ENPP2 (0.41) PHLPP2THRBENPP2ALDH1A1CYP3A4
SCHEMBL15835812 0.87 PHLPP2 (0.40) PHLPP2THRBENPP2ALDH1A1RECQL
SCHEMBL15835809 0.86 ENPP2 (0.38) PHLPP2THRBENPP2ALDH1A1CYP3A4
SCHEMBL15835811 0.85 PHLPP2 (0.36) PHLPP2THRBENPP2
SCHEMBL14159117 0.85 PHLPP2 (0.52) PHLPP2THRBENPP2ALDH1A1CYP3A4
SCHEMBL14159105 0.84 PHLPP2 (0.53) PHLPP2THRBENPP2ALDH1A1CYP3A4
SCHEMBL14134073 0.83 PHLPP2 (0.39) PHLPP2THRBENPP2ALDH1A1CYP3A4
SCHEMBL16309282 0.81 ENPP2 (0.43) PHLPP2THRBENPP2ALDH1A1CYP3A4

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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