SCHEMBL13295528

SCHEMBL13295528

CC(=O)OCCc1cc(Br)c(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PRKCA P17252 2/20 0.41
▸ MAOA P21397 1/20 0.39
▸ PLAUR Q03405 2/20 0.38
▸ MTOR P42345 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ BLM P54132 2/20 0.34

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
SCHEMBL13884756 0.91 MEN1 (0.51) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL13893454 0.90 MEN1 (0.48) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL13884749 0.88 MEN1 (0.48) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL13893509 0.86 MEN1 (0.50) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL13295527 0.85 MAPT (0.69) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL13884912 0.85 MEN1 (0.45) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL13884766 0.84 MEN1 (0.54) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL13884754 0.84 MEN1 (0.43) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL12798083 0.84 MEN1 (0.52) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL13884838 0.83 NPC1 (0.47) MAPTMEN1KMT2ATDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 — — US disclosed
US-7524979-B2 Methods of making colorant compounds XEROX CORPORATION (US) 2009-04-28 — — US disclosed
US-7524979-B2 Methods of making colorant compounds XEROX CORPORATION (US) 2009-04-28 — — US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 — — US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 — — US disclosed
US-7301025-B2 N-(2-(2-(alkyl[carbamoyl, carbonyloxy or ureido]alkyl)pyridinium)-5-(carboxy or sulfo)phenyl-8-((2-(N-alkyl[carbamoyl or ureido]alkyl)pyridinyl) xanthene ligands complexed with a metal or metal-containing moiety; magenta dye with improved heat resistance; hot melts or phase change inks XEROX CORPORATION (US) 2007-11-27 — — US disclosed
US-7301025-B2 N-(2-(2-(alkyl[carbamoyl, carbonyloxy or ureido]alkyl)pyridinium)-5-(carboxy or sulfo)phenyl-8-((2-(N-alkyl[carbamoyl or ureido]alkyl)pyridinyl) xanthene ligands complexed with a metal or metal-containing moiety; magenta dye with improved heat resistance; hot melts or phase change inks XEROX CORPORATION (US) 2007-11-27 — — US disclosed
US-7176317-B2 Colorant compounds XEROX CORPORATION (US) 2007-02-13 — — US disclosed
US-7176317-B2 Colorant compounds XEROX CORPORATION (US) 2007-02-13 — — US disclosed
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