SCHEMBL10680708

SCHEMBL10680708

CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)c(CC)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ AR P10275 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KCNJ1 P48048 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42

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
SCHEMBL10680362 0.86 SRD5A2 (0.48) MAPTLMNAALDH1A1L3MBTL1POLB
SCHEMBL10682007 0.86 ALDH1A1 (0.56) MAPTLMNAALDH1A1L3MBTL1POLB
SCHEMBL10684242 0.85 GAA (0.49) MAPTLMNAALDH1A1L3MBTL1POLB
SCHEMBL10681674 0.85 ALDH1A1 (0.50) MAPTLMNAALDH1A1L3MBTL1POLB
SCHEMBL10674925 0.84 ALDH1A1 (0.53) MAPTLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10679716 0.83 ALDH1A1 (0.52) MAPTLMNAALDH1A1L3MBTL1POLB
SCHEMBL10684544 0.81 CDK5 (0.54) MAPTLMNAALDH1A1L3MBTL1POLB
SCHEMBL10680367 0.81 GAA (0.43) MAPTLMNAALDH1A1L3MBTL1POLB
SCHEMBL7382511 0.79 PDE3B (0.43) MAPTLMNAALDH1A1L3MBTL1POLB
SCHEMBL10675710 0.77 ALDH1A1 (0.51) MAPTLMNAALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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