SCHEMBL7738249

SCHEMBL7738249

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.63
PDE1A P54750 7/20 0.63
PDE1B Q01064 7/20 0.63
PDE1C Q14123 7/20 0.63
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.41
ABCC5 O15440 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MGAT1 P26572 1/20 0.40
MGAT2 Q10469 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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 0.95 PDE5A (0.64) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL7738220 0.93 PDE5A (0.63) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7738216 0.92 PDE5A (0.63) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL7731030 0.91 PDE5A (0.60) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7740245 0.89 PDE5A (0.59) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7736923 0.89 PDE5A (0.66) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7737752 0.88 PDE5A (0.68) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL7740252 0.87 PDE5A (0.61) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL7738293 0.86 PDE5A (0.61) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL7736922 0.85 PDE5A (0.64) 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