SCHEMBL13604245

SCHEMBL13604245

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)cc(S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1SOOO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.42
▸ ENPP2 Q13822 5/20 0.41
▸ APP P05067 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC7A11 Q9UPY5 3/20 0.36
▸ PHLPP2 Q6ZVD8 2/20 0.35
▸ SENP2 Q9HC62 5/20 0.35
▸ SENP1 Q9P0U3 4/20 0.35
▸ SUMO2 P61956 4/20 0.35
▸ SUMO1 P63165 4/20 0.35
▸ SENP7 Q9BQF6 4/20 0.35

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
SCHEMBL13604222 1.00 THRB (0.42) THRBENPP2APPMEN1ALDH1A1
SCHEMBL13604266 0.94 THRB (0.40) THRBENPP2APPMEN1ALDH1A1
SCHEMBL12052520 0.90 THRB (0.38) THRBENPP2APPMEN1ALDH1A1
SCHEMBL13604262 0.87 THRB (0.51) THRBENPP2APPMEN1ALDH1A1
SCHEMBL13792698 0.87 THRB (0.51) THRBENPP2APPMEN1ALDH1A1
SCHEMBL12053411 0.87 THRB (0.43) THRBENPP2APPMEN1ALDH1A1
SCHEMBL12052875 0.87 ENPP2 (0.44) THRBENPP2APPMEN1ALDH1A1
SCHEMBL13604269 0.86 ENPP2 (0.41) THRBENPP2APPMEN1ALDH1A1
SCHEMBL13880627 0.86 ENPP2 (0.52) THRBENPP2APPMEN1ALDH1A1
SCHEMBL13996418 0.85 ENPP2 (0.33) THRBENPP2PHLPP2

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
US-20090320217-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-31 — — US disclosed
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