SCHEMBL18684929

SCHEMBL18684929

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(OC)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(O)c2c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.53
▸ ENPP2 Q13822 10/20 0.51
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SLC10A1 Q14973 1/20 0.39

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
SCHEMBL18684930 1.00 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684936 0.94 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684918 0.94 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL14388841 0.94 THRB (0.51) THRBENPP2MEN1KMT2AHTT
SCHEMBL14388838 0.93 THRB (0.62) THRBENPP2MEN1KMT2AHTT
SCHEMBL14388748 0.93 THRB (0.62) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684932 0.93 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684938 0.93 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL14388911 0.93 ENPP2 (0.51) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157447 0.90 THRB (0.60) THRBENPP2MEN1KMT2AHTT

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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