SCHEMBL13604269

SCHEMBL13604269

Nc1c(/N=N/c2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2SOOO)cc(S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1SOOO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.41
▸ SUMO2 P61956 2/20 0.38
▸ SUMO1 P63165 2/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ SENP2 Q9HC62 2/20 0.38
▸ SENP3 Q9H4L4 1/20 0.38
▸ SENP1 Q9P0U3 1/20 0.38
▸ THRB P10828 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ PHLPP2 Q6ZVD8 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ APP P05067 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 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
SCHEMBL13604222 0.86 THRB (0.42) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL13604245 0.86 THRB (0.42) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL12052977 0.86 ENPP2 (0.39) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL13996418 0.82 ENPP2 (0.33) ENPP2THRBPHLPP2
SCHEMBL13604266 0.81 THRB (0.40) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL12053126 0.80 THRB (0.36) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL13604270 0.80 ENPP2 (0.41) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384340 0.79 ENPP2 (0.46) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL12052520 0.79 THRB (0.38) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL14546778 0.77 ENPP2 (0.52) ENPP2SUMO2SUMO1SENP7SENP2

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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