SCHEMBL13100756

SCHEMBL13100756

CCCCSc1nc(Nc2ccc(/N=N/c3ccc4cc(SOOO)cc(S(=O)(=O)O)c4c3)cc2OC)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.36
▸ RAD52 P43351 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ ENPP2 Q13822 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
SCHEMBL12998811 0.97 PTPN11 (0.38) PTPN11RAD52NCOA3ENPP2
SCHEMBL13100754 0.97 PTPN11 (0.38) PTPN11RAD52NCOA3ENPP2
SCHEMBL14407942 0.94 PTPN11 (0.36) PTPN11ENPP2
SCHEMBL12391792 0.90 PTPN11 (0.36) PTPN11ENPP2
SCHEMBL15233456 0.86 ENPP2 (0.42) PTPN11RAD52NCOA3ENPP2
SCHEMBL14396883 0.86 ENPP2 (0.42) PTPN11RAD52NCOA3ENPP2
SCHEMBL17813899 0.85 ENPP2 (0.41) PTPN11RAD52NCOA3ENPP2
SCHEMBL12591321 0.84 ENPP2 (0.34) RAD52NCOA3ENPP2
SCHEMBL13901022 0.84 ENPP2 (0.34) RAD52NCOA3ENPP2
SCHEMBL17813897 0.82 ATIC (0.38) RAD52NCOA3ENPP2

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-8475578-B2 Magenta inks and ink sets for ink-jet imaging HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-07-02 — — US disclosed
US-20100251933-A1 Magenta Inks And Ink Sets For Ink-jet Imaging HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2010-10-07 — — US disclosed
US-7479178-B2 Dye sets for inkjet imaging and ink sets using the same HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2009-01-20 — — US disclosed
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