SCHEMBL17813897

SCHEMBL17813897

COc1cc(N=Nc2cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c3c2)ccc1Nc1nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.38
▸ SUMO2 P61956 2/20 0.38
▸ SUMO1 P63165 2/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ SENP2 Q9HC62 2/20 0.38
▸ RAD52 P43351 4/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ ENPP2 Q13822 1/20 0.32
▸ MPL P40238 1/20 0.32
▸ LY6K Q17RY6 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ TOP2B Q02880 2/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GLA P06280 2/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ ABCC4 O15439 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ NR1I2 O75469 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
SCHEMBL12591321 0.92 ENPP2 (0.34) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13901022 0.92 ENPP2 (0.34) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17813910 0.91 ATIC (0.40) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL3656757 0.89 SENP2 (0.45) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL14408044 0.89 SENP2 (0.45) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL14396883 0.87 ENPP2 (0.42) SUMO2SUMO1SENP7SENP2RAD52
SCHEMBL15233456 0.87 ENPP2 (0.42) SUMO2SUMO1SENP7SENP2RAD52
SCHEMBL20682128 0.87 SENP2 (0.44) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL16454233 0.86 SUMO2 (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17813899 0.86 ENPP2 (0.41) SUMO2SUMO1SENP7SENP2RAD52

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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