SCHEMBL13201661

SCHEMBL13201661

COc1cc(N=Nc2cccc(S(=O)(=O)O)c2)ccc1Nc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(N=Nc3ccccc3)cc2OCCCS(=O)(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 8/20 0.37
▸ RAD52 P43351 4/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ TOP2B Q02880 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL18820790 0.98 GBA1 (0.39) GBA1RAD52PHLPP2PTK2LRRK2
SCHEMBL12580674 0.91 LMNA (0.34) GBA1RAD52PHLPP2PTK2NCOA3
SCHEMBL12432078 0.89 GBA1 (0.33) GBA1PTK2LRRK2EGFR
SCHEMBL13218942 0.88 PHLPP2 (0.34) RAD52PHLPP2PTK2NCOA3TOP2B
SCHEMBL15958582 0.86 PHLPP2 (0.37) GBA1RAD52PHLPP2NCOA3LRRK2
SCHEMBL13201668 0.86 GBA1 (0.33) GBA1PHLPP2PTK2LRRK2EGFR
SCHEMBL12330360 0.86 ALK (0.33) RAD52PHLPP2PTK2NCOA3TOP2B
SCHEMBL13219057 0.85 PHLPP2 (0.36) RAD52PHLPP2PTK2NCOA3TOP2B
SCHEMBL12580803 0.85 PHLPP2 (0.36) RAD52PHLPP2PTK2NCOA3TOP2B
SCHEMBL13201667 0.85 PTPN11 (0.38) GBA1PHLPP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932394-B2 Ink, ink cartridge and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2015-01-13 — — US disclosed
US-20140043407-A1 INK, INK CARTRIDGE AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2014-02-13 — — US disclosed
US-7771525-B2 Water-soluble azo compound or salt thereof, ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-08-10 — — US disclosed
US-20100068475-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
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