SCHEMBL10684544

SCHEMBL10684544

CCOC(=O)c1cc(C(=O)c2ccncc2)c(CC)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.54
▸ CDK5R1 Q15078 3/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPT P10636 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ PDE3B Q13370 2/20 0.49
▸ PDE3A Q14432 2/20 0.49
▸ GAA P10253 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GCGR P47871 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CDC7 O00311 1/20 0.41

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
SCHEMBL10682007 0.88 ALDH1A1 (0.56) CDK5CDK5R1ALDH1A1MAPTL3MBTL1
SCHEMBL10674925 0.85 ALDH1A1 (0.53) CDK5CDK5R1ALDH1A1MAPTL3MBTL1
SCHEMBL10681743 0.85 PDE3B (0.53) CDK5CDK5R1ALDH1A1MAPTPDE3B
SCHEMBL10679716 0.84 ALDH1A1 (0.52) CDK5CDK5R1ALDH1A1MAPTL3MBTL1
SCHEMBL10678289 0.84 CDC7 (0.56) CDK5CDK5R1PDE3BPDE3AKMT2A
SCHEMBL10681806 0.83 PDE3B (0.55) CDK5CDK5R1ALDH1A1MAPTLMNA
SCHEMBL11242652 0.81 CDK5 (0.64) CDK5CDK5R1ALDH1A1MAPTL3MBTL1
SCHEMBL10680708 0.81 MAPT (0.49) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10675710 0.81 ALDH1A1 (0.51) CDK5CDK5R1ALDH1A1MAPTL3MBTL1
SCHEMBL10680545 0.80 ALDH1A1 (0.50) CDK5CDK5R1ALDH1A1MAPTL3MBTL1

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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