SCHEMBL13901022

SCHEMBL13901022

COc1cc(/N=N/c2ccc3cccc(S(=O)(=O)O)c3c2)ccc1Nc1nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.34
▸ RAD52 P43351 2/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ ATIC P31939 1/20 0.33
▸ SENP2 Q9HC62 2/20 0.31
▸ SENP1 Q9P0U3 2/20 0.31
▸ SUMO2 P61956 1/20 0.31
▸ SUMO1 P63165 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP3 Q9H4L4 1/20 0.31
▸ RAB9A P51151 4/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALK Q9UM73 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LY6K Q17RY6 1/20 0.31
▸ TOP2B Q02880 2/20 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 1.00 ENPP2 (0.34) ENPP2RAD52NCOA3ATICSENP2
SCHEMBL13940388 0.93 USP2 (0.36) ENPP2RAD52NCOA3HTTTSHR
SCHEMBL17813897 0.92 ATIC (0.38) ENPP2RAD52NCOA3ATICSENP2
SCHEMBL17813912 0.91 ENPP2 (0.38) ENPP2ATICSENP2SENP1SUMO2
SCHEMBL15233456 0.90 ENPP2 (0.42) ENPP2RAD52NCOA3SENP2SUMO2
SCHEMBL14396883 0.90 ENPP2 (0.42) ENPP2RAD52NCOA3SENP2SUMO2
SCHEMBL17813899 0.89 ENPP2 (0.41) ENPP2RAD52NCOA3SENP2SUMO2
SCHEMBL17814018 0.89 ENPP2 (0.38) ENPP2ATICSENP2SENP1SUMO2
SCHEMBL13100754 0.87 PTPN11 (0.38) ENPP2RAD52NCOA3
SCHEMBL12998811 0.87 PTPN11 (0.38) ENPP2RAD52NCOA3

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-7500742-B2 Systems and methods for printing onto a substrate using reactive ink HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2009-03-10 — — US disclosed
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