SCHEMBL18684932

SCHEMBL18684932

COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(N)c2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.53
▸ ENPP2 Q13822 10/20 0.51
▸ PRMT1 Q99873 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38

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
SCHEMBL18684938 1.00 THRB (0.53) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL16551932 0.97 THRB (0.56) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL13880595 0.93 THRB (0.62) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL18684929 0.93 THRB (0.53) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL18684930 0.93 THRB (0.53) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL24157447 0.92 THRB (0.60) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL16551869 0.92 THRB (0.60) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL18684918 0.92 THRB (0.53) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL18684936 0.92 THRB (0.53) THRBENPP2PRMT1MEN1KMT2A
SCHEMBL14388841 0.91 THRB (0.51) THRBENPP2PRMT1MEN1KMT2A

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
WO-2017050597-A1 MIXTURES OF FIBRE-REACTIVE DYES DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-03-30 — — WO disclosed
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