SCHEMBL14346733

SCHEMBL14346733

COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1/N=N/c1c(S(=O)(=O)O)cc2c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(NCS(=O)(=O)O)ccc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.40
▸ PRMT1 Q99873 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN1 P18031 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 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
SCHEMBL14388821 0.93 ENPP2 (0.41) ENPP2PRMT1PHLPP2CD40CD40LG
SCHEMBL16838480 0.93 ENPP2 (0.41) ENPP2PRMT1PHLPP2CD40CD40LG
SCHEMBL18684946 0.92 ENPP2 (0.41) ENPP2PRMT1PHLPP2CD40CD40LG
SCHEMBL14388921 0.92 ENPP2 (0.41) ENPP2PRMT1PHLPP2CD40CD40LG
SCHEMBL14346573 0.92 PTPN1 (0.40) ENPP2PRMT1PHLPP2CD40CD40LG
SCHEMBL16838426 0.91 ENPP2 (0.38) ENPP2PRMT1PHLPP2CD40CD40LG
SCHEMBL16838453 0.91 ENPP2 (0.44) ENPP2PRMT1PHLPP2CD40CD40LG
SCHEMBL14388938 0.90 CD40 (0.44) ENPP2PRMT1CD40CD40LGTDP1
SCHEMBL14388762 0.90 CD40 (0.44) ENPP2PRMT1CD40CD40LGTDP1
SCHEMBL16838441 0.89 PHLPP2 (0.40) ENPP2PRMT1PHLPP2CD40CD40LG

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 3 patents. 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
WO-2007147774-A2 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 — — 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
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