SCHEMBL7381648

SCHEMBL7381648

CCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccccc1SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ KDM4E B2RXH2 7/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.34

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
SCHEMBL7381645 0.80 PDE3B (0.44) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL7384310 0.77 PDE3B (0.52) PDE3BPDE3AKDM4EALDH1A1KMT2A
SCHEMBL10679720 0.76 PDE3B (0.45) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL7384614 0.76 PDE3B (0.47) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL10811815 0.76 PDE3B (0.51) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL7380887 0.75 PDE3B (0.47) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL7379645 0.75 PDE3B (0.44) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL7384727 0.75 PDE3B (0.62) PDE3BPDE3AKDM4EHSD17B10KMT2A
SCHEMBL7383615 0.75 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL9477815 0.74 PDE3B (0.50) PDE3BPDE3AKDM4EHSD17B10ALDH1A1

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 14 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
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
Send feedback