SCHEMBL13603908

SCHEMBL13603908

O=C(O)CN(CC(=O)OCc1cc[n+](Cc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHKA P35790 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PKM P14618 1/20 0.38

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
SCHEMBL13603876 0.88 ALDH1A1 (0.54) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13603920 0.84 ALDH1A1 (0.59) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13645010 0.81 CA1 (0.55) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13603903 0.79 POLB (0.49) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13681074 0.78 NR3C1 (0.51) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL4533147 0.77 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL13603924 0.77 ALDH1A1 (0.51) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13645009 0.77 KEAP1 (0.50) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13603898 0.74 MAOB (0.47) CA1CA2
SCHEMBL14463140 0.74 ALDH1A1 (0.71) ALDH1A1MAPK1L3MBTL1CHKALMNA

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-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 — — US disclosed
US-7582410-B2 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2009-09-01 — — US disclosed
US-7416835-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-08-26 — — US disclosed
US-20080038663-A1 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2008-02-14 — — US disclosed
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