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Sugi Predict / Compounds / SCHEMBL17384215

SCHEMBL17384215

SCHEMBL17384215

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(N)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c(C(=O)O)c1/N=N/c1ccc(S(=O)(=O)COS(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.43
▸ ENPP2 Q13822 4/20 0.43
▸ CD40 P25942 1/20 0.43
▸ CD40LG P29965 1/20 0.43
▸ PHLPP2 Q6ZVD8 4/20 0.42
▸ SENP2 Q9HC62 3/20 0.36
▸ SUMO2 P61956 2/20 0.36
▸ SUMO1 P63165 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP3 Q9H4L4 2/20 0.35
▸ SENP1 Q9P0U3 2/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ APP P05067 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL17384289 0.95 THRB (0.45) THRBENPP2CD40CD40LGPHLPP2
SCHEMBL24019203 0.91 THRB (0.45) THRBENPP2CD40CD40LGPHLPP2
SCHEMBL14159105 0.88 PHLPP2 (0.53) THRBENPP2CD40CD40LGPHLPP2
SCHEMBL14159117 0.87 PHLPP2 (0.52) THRBENPP2CD40CD40LGPHLPP2
SCHEMBL24019208 0.86 PHLPP2 (0.42) THRBENPP2CD40CD40LGPHLPP2
SCHEMBL13386969 0.86 THRB (0.43) THRBENPP2PHLPP2SENP2SUMO2
SCHEMBL14159095 0.86 THRB (0.43) THRBENPP2PHLPP2SENP2SUMO2
SCHEMBL15671902 0.86 THRB (0.43) THRBENPP2PHLPP2SENP2SUMO2
SCHEMBL14159099 0.86 THRB (0.43) THRBENPP2CD40CD40LGPHLPP2
SCHEMBL15671887 0.84 THRB (0.48) THRBENPP2PHLPP2SENP2SUMO2

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-2015193104-A1 MIXTURES OF REACTIVE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2015-12-23 — — WO disclosed
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