SCHEMBL17813896

SCHEMBL17813896

O=S(=O)(O)CCCSc1nc(Nc2ccc(N=Nc3ccc4cccc(S(=O)(=O)O)c4c3)cc2)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.36
▸ TTR P02766 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ SENP2 Q9HC62 2/20 0.34
▸ SENP1 Q9P0U3 2/20 0.34
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP3 Q9H4L4 1/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FUT8 Q9BYC5 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
SCHEMBL12591321 0.86 ENPP2 (0.34) ATICSENP2SENP1SUMO2SUMO1
SCHEMBL13901022 0.86 ENPP2 (0.34) ATICSENP2SENP1SUMO2SUMO1
SCHEMBL17813912 0.82 ENPP2 (0.38) ATICSENP2SENP1SUMO2SUMO1
SCHEMBL17813914 0.80 SENP2 (0.52) ATICSENP2SENP1SUMO2SUMO1
SCHEMBL17814018 0.80 ENPP2 (0.38) ATICSENP2SENP1SUMO2SUMO1
SCHEMBL13940388 0.79 USP2 (0.36) ENPP2
SCHEMBL16454233 0.78 SUMO2 (0.42) ATICSENP2SENP1SUMO2SUMO1
SCHEMBL17813897 0.78 ATIC (0.38) ATICSENP2SENP1SUMO2SUMO1
SCHEMBL17808401 0.76 MAPT (0.33) ATICSENP2SENP1SUMO2SUMO1
SCHEMBL17813973 0.76 ATIC (0.40) ATICSENP2SENP1SUMO2SUMO1

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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