SCHEMBL16454233

SCHEMBL16454233

COc1cc(Nc2nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUMO2 P61956 3/20 0.42
▸ SUMO1 P63165 3/20 0.42
▸ SENP7 Q9BQF6 3/20 0.42
▸ SENP2 Q9HC62 3/20 0.42
▸ ATIC P31939 2/20 0.42
▸ ENPP2 Q13822 4/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ MPL P40238 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL17813914 0.90 SENP2 (0.52) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL17813910 0.89 ATIC (0.40) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL14408044 0.87 SENP2 (0.45) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL3656757 0.87 SENP2 (0.45) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL17813897 0.86 ATIC (0.38) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL20682128 0.84 SENP2 (0.44) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL17813913 0.81 SENP2 (0.41) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL12591321 0.78 ENPP2 (0.34) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL13901022 0.78 ENPP2 (0.34) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL17813896 0.78 ATIC (0.36) SUMO2SUMO1SENP7SENP2ATIC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 — — US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 — — US disclosed
WO-2015020222-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL 日本化薬株式会社 (JP) 2015-02-12 — — WO disclosed
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