SCHEMBL14388911

SCHEMBL14388911

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/c3cc(OC)c(S(=O)(=O)CCOS(=O)(=O)O)cc3OC)c(O)c2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.51
▸ THRB P10828 2/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ MAPK1 P28482 2/20 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
▸ BRCA1 P38398 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 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
SCHEMBL18684919 0.96 ENPP2 (0.47) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL14388836 0.96 ENPP2 (0.47) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL14388838 0.93 THRB (0.62) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL18684936 0.93 THRB (0.53) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL18684918 0.93 THRB (0.53) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL14388748 0.93 THRB (0.62) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL18684928 0.93 ENPP2 (0.49) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL18684930 0.93 THRB (0.53) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL18684929 0.93 THRB (0.53) ENPP2THRBPHLPP2MEN1KMT2A
SCHEMBL18684939 0.91 THRB (0.53) ENPP2THRBPHLPP2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039083-B1 DYE MIXTURES OF METAL-FREE REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIB GMBH (DE) 2017-06-07 — — EP disclosed
WO-2017050597-A1 MIXTURES OF FIBRE-REACTIVE DYES DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-03-30 — — WO disclosed
EP-2862902-A1 Dye mixtures of metal free reactive dyes, production and use DyStar Colours Distribution GmbH (DE) 2015-04-22 — — EP disclosed
WO-2015028499-A1 DYE MIXTURES OF REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-03-05 — — WO disclosed
US-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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