SCHEMBL7381645

SCHEMBL7381645

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.44
▸ PDE3A Q14432 3/20 0.44
▸ KDM4E B2RXH2 6/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KMT2A Q03164 5/20 0.35

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 0.86 PDE3B (0.47) PDE3BPDE3AKDM4EHSD17B10HPGD
SCHEMBL7383615 0.85 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10HPGD
SCHEMBL7385630 0.83 MAPT (0.45) PDE3BPDE3AKDM4EHPGDNPSR1
SCHEMBL7384727 0.83 PDE3B (0.62) PDE3BPDE3AKDM4EHSD17B10HPGD
SCHEMBL7382511 0.81 PDE3B (0.43) PDE3BPDE3AKDM4ENPSR1KMT2A
SCHEMBL7381648 0.80 PDE3B (0.44) PDE3BPDE3AKDM4EHSD17B10HPGD
SCHEMBL7376126 0.79 PDE3B (0.44) PDE3BPDE3AKDM4EHSD17B10HPGD
SCHEMBL11002221 0.78 PDE3A (0.68) PDE3BPDE3AKDM4EHSD17B10HPGD
SCHEMBL10679720 0.77 PDE3B (0.45) PDE3BPDE3AKDM4EHSD17B10HPGD
SCHEMBL10811815 0.76 PDE3B (0.51) PDE3BPDE3AKDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212314-A Alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1993-05-18 — — US disclosed
US-5212315-A Alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1993-05-18 — — US disclosed
EP-0140375-B1 ALKOXYIMINO ETHER DERIVATIVES OF 5-ACYL-2(1H)-PYRIDINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-23 — — EP 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-5043449-A Certain alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-27 — — 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-4920229-A Novel alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-24 — — 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-4849522-A Novel alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS (US) 1989-07-18 — — 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-4732982-A Novel alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-22 — — 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
US-4568751-A 5-Acyl-2-(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1986-02-04 — — US disclosed
EP-0140375-A2 Alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1985-05-08 — — EP disclosed
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