SCHEMBL7305962

SCHEMBL7305962

CCOc1ccc([N+](=O)[O-])cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.86
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE1C Q14123 1/20 0.53

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
SCHEMBL7299048 0.93 PDE5A (1.00) PDE5A
SCHEMBL7299536 0.90 PDE5A (0.86) PDE5APDE1APDE1BPDE1C
SCHEMBL7305647 0.86 PDE5A (0.74) PDE5A
SCHEMBL7309738 0.84 PDE5A (0.85) PDE5A
SCHEMBL7305204 0.82 PDE5A (1.00) PDE5A
SCHEMBL7298995 0.79 PDE5A (0.86) PDE5A
SCHEMBL7300325 0.78 PDE5A (0.81) PDE5A
SCHEMBL7303848 0.77 PDE5A (0.74) PDE5A
SCHEMBL7307495 0.77 PDE5A (0.80) PDE5A
SCHEMBL7950829 0.77 KMT2A (0.72) PDE5APDE1APDE1BPDE1C

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-0636626-A1 Pyrazolopyrimidine Derivatives LABORATOIRES GLAXO SA (FR) 1995-02-01 EP disclosed