SCHEMBL13681071

SCHEMBL13681071

O=C(O)CN(CC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ EPHX2 P34913 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL13644981 0.84 NPC1 (0.57) EPHX1ALDH1A1KMT2APOLBEPHX2
SCHEMBL13645004 0.83 EPHX2 (0.57) EPHX1ALDH1A1MEN1KMT2APOLB
SCHEMBL13644982 0.83 RAB9A (0.51) EPHX1ALDH1A1KMT2APOLBEPHX2
SCHEMBL13645026 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1MEN1KMT2AKCNH2
SCHEMBL13603802 0.80 EPHX1 (0.45) EPHX1ALDH1A1KMT2AEPHX2
SCHEMBL13645006 0.80 EPHX2 (0.61) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13645034 0.78 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL19254910 0.75 ALDH1A1 (0.70) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13644989 0.75 EPHX2 (0.60) EPHX1L3MBTL1MEN1KMT2APOLB
SCHEMBL16108943 0.74 CRHBP (0.62) EPHX1ALDH1A1MAPTMEN1KMT2A

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-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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