SCHEMBL7382511

SCHEMBL7382511

CCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ MAPT P10636 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CES1 P23141 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ TYMS P04818 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7384614 0.84 PDE3B (0.47) PDE3BPDE3AMAPTALDH1A1NPSR1
SCHEMBL7383615 0.83 PDE3B (0.46) PDE3BPDE3AMAPTALDH1A1POLB
SCHEMBL10681674 0.83 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MAPK1NPSR1
SCHEMBL10680367 0.82 GAA (0.43) MAPTTDP1ALDH1A1MAPK1NPSR1
SCHEMBL10680362 0.82 SRD5A2 (0.48) MAPTTDP1ALDH1A1MAPK1NPSR1
SCHEMBL10684242 0.81 GAA (0.49) MAPTTDP1ALDH1A1MAPK1NPSR1
SCHEMBL7385630 0.81 MAPT (0.45) PDE3BPDE3AMAPTTDP1ALDH1A1
SCHEMBL7381645 0.81 PDE3B (0.44) PDE3BPDE3AMAPTALDH1A1NPSR1
SCHEMBL7384727 0.81 PDE3B (0.62) PDE3BPDE3AMAPTNPSR1KDM4E
SCHEMBL10680708 0.79 MAPT (0.49) MAPTTDP1ALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428045-A 5-acyl-2-(1H)-pyridinoes MERRELL DOW PHARMACEUTICALS INC. (US) 1995-06-27 — — US disclosed
US-5118696-A 5-Acyl-2-(1H)-pyridinones useful for treating cardiac failure MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-02 — — US disclosed
US-4992452-A Certain 5-acyl-2-(1H)-pyridinones useful in treating cardiac failure MERRELL DOW PHARMACEUTICALS INC. (US) 1991-02-12 — — US disclosed
US-4853395-A Certain 3-carboxylate or 3-carbamyl-5-acyl-2-(1H)-pyridinones having cardiotonic properties MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-01 — — US disclosed
US-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
US-4731371-A Certain 5-acyl-1,2-dihydro-2-oxo-3-pyridinecarbonitriles which are useful as cardiotonic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-15 — — US disclosed
EP-0124090-B1 5-ACYL-2-(1H)-PYRIDINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 — — EP disclosed
EP-0124090-A1 5-Acyl-2-(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-11-07 — — EP disclosed
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