SCHEMBL7738293

SCHEMBL7738293

CCOc1ccc(S(=O)(=O)Nc2ccc(CN3CCOCC3)cc2)cc1-c1nn2c(C3CCCC3)nnc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.61
PDE1A P54750 9/20 0.61
PDE1B Q01064 9/20 0.61
PDE1C Q14123 9/20 0.61
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GALR3 O60755 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE2A O00408 1/20 0.38
PDE6D O43924 1/20 0.38
PDE9A O76083 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PDE6A P16499 1/20 0.38

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
SCHEMBL7731010 0.87 PDE5A (0.64) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7736923 0.87 PDE5A (0.66) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7740295 0.86 PDE5A (0.68) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7738249 0.86 PDE5A (0.63) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7738220 0.85 PDE5A (0.63) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7737750 0.84 PDE5A (0.78) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7731030 0.83 PDE5A (0.60) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7736922 0.82 PDE5A (0.64) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7737752 0.82 PDE5A (0.68) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL7740245 0.82 PDE5A (0.59) PDE5APDE1APDE1BPDE1CHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683081-B2 INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHODIESTERASES BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-6683081-B2 INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHODIESTERASES BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed