SCHEMBL7731030

SCHEMBL7731030

CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(F)c2)cc1-c1nn2c(C3CCCC3)nnc2c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.60
PDE1A P54750 7/20 0.60
PDE1B Q01064 7/20 0.60
PDE1C Q14123 7/20 0.60
ABCC5 O15440 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 2/20 0.39
KIT P10721 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
PDE4B Q07343 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7738220 0.94 PDE5A (0.63) PDE5APDE1APDE1BPDE1CABCC5
SCHEMBL7738249 0.91 PDE5A (0.63) PDE5APDE1APDE1BPDE1CABCC5
SCHEMBL7740245 0.90 PDE5A (0.59) PDE5APDE1APDE1BPDE1CABCC5
SCHEMBL7731010 0.89 PDE5A (0.64) PDE5APDE1APDE1BPDE1CABCC5
SCHEMBL7738216 0.89 PDE5A (0.63) PDE5APDE1APDE1BPDE1CABCC5
SCHEMBL7737752 0.86 PDE5A (0.68) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL7740252 0.86 PDE5A (0.61) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL7736923 0.86 PDE5A (0.66) PDE5APDE1APDE1BPDE1CABCC5
SCHEMBL7736922 0.85 PDE5A (0.64) PDE5APDE1APDE1BPDE1CABCC5
SCHEMBL6334387 0.84 PDE5A (0.63) PDE5APDE1APDE1BPDE1CABCC5

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