SCHEMBL14346573

SCHEMBL14346573

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)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
▸ PTPN1 P18031 2/20 0.40
▸ ENPP2 Q13822 9/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ P2RX5 Q93086 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL16838508 0.94 ENPP2 (0.38) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL14388945 0.93 PTPN1 (0.42) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL14346733 0.92 ENPP2 (0.40) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL16838476 0.88 PTPN1 (0.34) PTPN1ENPP2CD40CD40LGP2RX5
SCHEMBL16838441 0.88 PHLPP2 (0.40) ENPP2PHLPP2CD40CD40LGALDH1A1
SCHEMBL15985943 0.88 ENPP2 (0.43) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL14388952 0.88 ENPP2 (0.43) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL14388821 0.87 ENPP2 (0.41) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL16838421 0.87 PHLPP2 (0.39) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL14388763 0.87 CD40 (0.37) ENPP2PHLPP2CD40CD40LGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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