SCHEMBL11203203

SCHEMBL11203203

CCC(=O)c1cc(C#N)c(=O)[nH]c1CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ KDM4E B2RXH2 10/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33

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
SCHEMBL9477815 0.84 PDE3B (0.50) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11018929 0.77 PDE3B (0.54) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL10853063 0.77 PDE3B (0.51) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL9478348 0.76 ALDH1A1 (0.49) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11025183 0.76 PDE3B (0.50) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11025198 0.76 PDE3B (0.50) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11022787 0.75 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11021631 0.74 KDM4E (0.43) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11020956 0.74 KDM4E (0.43) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11022099 0.74 PDE3B (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4415580-A Certain 2-(1H)-pyridinones cardiotonic compositions containing same and method of using same STERLING DRUG INC. (US) 1983-11-15 — — US disclosed
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