SCHEMBL12053231

SCHEMBL12053231

O=S(=O)(O)c1ccc(SOOO)cc1/N=N/c1cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2)c(O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.41
▸ THRB P10828 1/20 0.34
▸ ATIC P31939 1/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.32
▸ SLC7A11 Q9UPY5 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31

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
SCHEMBL12053206 0.94 PTPN11 (0.39) PTPN11THRBP2RX3KDM4EMEN1
SCHEMBL12053154 0.90 PTPN11 (0.39) PTPN11THRBMEN1MAPTHPGD
SCHEMBL12053253 0.89 PTPN11 (0.43) PTPN11THRBP2RX3KDM4EMEN1
SCHEMBL12052874 0.89 PTPN11 (0.40) PTPN11THRBSLC7A11CA2
SCHEMBL12053222 0.86 ATIC (0.36) PTPN11THRBATICP2RX3KDM4E
SCHEMBL12052511 0.86 THRB (0.39) PTPN11THRBMEN1MAPTHPGD
SCHEMBL12053326 0.84 PTPN11 (0.37) PTPN11THRBHSD17B10SLC7A11CA2
SCHEMBL12052532 0.83 THRB (0.37) PTPN11THRBMEN1MAPTHPGD
SCHEMBL12052533 0.83 THRB (0.37) PTPN11THRBMEN1MAPTHPGD
SCHEMBL12053031 0.81 THRB (0.36) PTPN11THRBSLC7A11

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
US-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 — — US disclosed
US-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 — — US disclosed
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