SCHEMBL9850804

SCHEMBL9850804

CCCOc1ccc(NC=O)cc1-c1nc2nc(S(C)(=O)=O)ncc2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.51
PDE6D O43924 1/20 0.49
PDE6A P16499 1/20 0.49
PDE6G P18545 1/20 0.49
PDE6B P35913 1/20 0.49
PDE6C P51160 1/20 0.49
PDE6H Q13956 1/20 0.49

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
SCHEMBL9850707 0.85 MEN1 (0.48) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7371678 0.83 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2567696 0.76 PDE5A (0.74) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7725988 0.69 PDE5A (0.72) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7721797 0.68 PDE5A (0.69) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2571728 0.68 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7721585 0.68 PDE5A (0.71) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7718066 0.68 PDE5A (0.71) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7723340 0.68 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7722663 0.68 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B

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
EP-0442204-A2 Pyrimidopyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-08-21 EP disclosed