SCHEMBL7323199

SCHEMBL7323199

CC1SC(=O)NN=C1c1ccc(-n2ccc(=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.52
PDE3B Q13370 16/20 0.48
PDE3A Q14432 16/20 0.48
PDE4A P27815 7/20 0.48
PDE4B Q07343 7/20 0.48
PDE4C Q08493 7/20 0.48
PDE4D Q08499 7/20 0.48
PDE2A O00408 2/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL7319060 0.78 PDE3B (0.46) FBP1PDE3BPDE3APDE4APDE4B
SCHEMBL6234593 0.77 PDE3B (0.54) FBP1PDE3BPDE3APDE4APDE4B
SCHEMBL6212367 0.76 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6212361 0.76 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6212364 0.76 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7271444 0.75 PDE3B (0.52) FBP1PDE3BPDE3APDE4APDE4B
SCHEMBL8199834 0.75 PDE3B (0.52) FBP1PDE3BPDE3APDE4APDE4B
SCHEMBL3440910 0.71 PDE3B (0.62) FBP1PDE3BPDE3APDE4APDE4B
SCHEMBL7343569 0.70 PDE3B (0.48) FBP1PDE3BPDE3APDE4APDE4B
SCHEMBL11947462 0.69 FBP1 (0.86) FBP1PDE3BPDE3APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP claimed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP disclosed