SCHEMBL7738355

SCHEMBL7738355

CCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1-c1nn2c(C3CCCC3)nnc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.61
PDE1A P54750 6/20 0.61
PDE1B Q01064 6/20 0.61
PDE1C Q14123 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CXCR4 P61073 1/20 0.40

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
SCHEMBL7737752 0.85 PDE5A (0.68) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL7740251 0.85 PDE5A (0.64) PDE5APDE1APDE1BPDE1CHTT
SCHEMBL7740263 0.84 PDE5A (0.63) PDE5APDE1APDE1BPDE1C
SCHEMBL7740247 0.84 PDE5A (0.70) PDE5APDE1APDE1BPDE1C
SCHEMBL7740295 0.84 PDE5A (0.68) PDE5APDE1APDE1BPDE1CL3MBTL1
SCHEMBL7738215 0.84 PDE5A (0.69) PDE5APDE1APDE1BPDE1C
SCHEMBL7738205 0.83 PDE5A (0.68) PDE5APDE1APDE1BPDE1C
SCHEMBL7738299 0.83 PDE5A (0.66) PDE5APDE1APDE1BPDE1C
SCHEMBL7738272 0.83 PDE5A (0.66) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL6361664 0.83 PDE5A (0.71) 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 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