SCHEMBL17813910

SCHEMBL17813910

COc1cc(Nc2nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n2)c(OC)cc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.40
▸ SUMO2 P61956 2/20 0.40
▸ SUMO1 P63165 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP2 Q9HC62 2/20 0.40
▸ ENPP2 Q13822 2/20 0.32
▸ SENP1 Q9P0U3 1/20 0.32
▸ MPL P40238 1/20 0.31
▸ RAD52 P43351 3/20 0.31
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX12 P18054 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
SCHEMBL14408044 0.94 SENP2 (0.45) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL3656757 0.94 SENP2 (0.45) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL20682128 0.92 SENP2 (0.44) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17813897 0.91 ATIC (0.38) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL16454233 0.89 SUMO2 (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17813912 0.85 ENPP2 (0.38) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17813898 0.85 SENP2 (0.35) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17813973 0.85 ATIC (0.40) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17813976 0.84 ATIC (0.34) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12559107 0.83 SUMO2 (0.47) ATICSUMO2SUMO1SENP7SENP2

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 2 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
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