SCHEMBL14546789

SCHEMBL14546789

CNc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(N)c1/N=N/c1ccc(OC)cc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.33
▸ ENPP2 Q13822 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ MPL P40238 1/20 0.31
▸ SLC7A11 Q9UPY5 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ BRCA1 P38398 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL14546783 1.00 THRB (0.33) THRBENPP2SMN1; SMN2PHLPP2MPL
SCHEMBL14546785 1.00 THRB (0.33) THRBENPP2SMN1; SMN2PHLPP2MPL
SCHEMBL14546918 0.94 THRB (0.36) THRBENPP2PHLPP2ALDH1A1KDM4E
SCHEMBL14546755 0.92 ENPP2 (0.38) THRBENPP2PHLPP2MPLSLC7A11
SCHEMBL14546740 0.92 ENPP2 (0.38) THRBENPP2PHLPP2MPLSLC7A11
SCHEMBL12053068 0.92 — —
SCHEMBL12053076 0.92 — —
SCHEMBL14546965 0.90 THRB (0.43) THRBENPP2PHLPP2SLC7A11ALDH1A1
SCHEMBL14546985 0.90 THRB (0.43) THRBENPP2PHLPP2SLC7A11ALDH1A1
SCHEMBL14546966 0.90 THRB (0.43) THRBENPP2PHLPP2SLC7A11ALDH1A1

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-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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