SCHEMBL7731010

SCHEMBL7731010

CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(-c3nn4c(C5CCCC5)nnc4c(=O)[nH]3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.64
PDE1A P54750 6/20 0.64
PDE1B Q01064 6/20 0.64
PDE1C Q14123 6/20 0.64
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.42
ABCC5 O15440 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7738249 0.95 PDE5A (0.63) PDE5APDE1APDE1BPDE1CPOLB
SCHEMBL7738220 0.91 PDE5A (0.63) PDE5APDE1APDE1BPDE1CPOLB
SCHEMBL7736923 0.90 PDE5A (0.66) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7731030 0.89 PDE5A (0.60) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7738216 0.89 PDE5A (0.63) PDE5APDE1APDE1BPDE1CPOLB
SCHEMBL7737752 0.88 PDE5A (0.68) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL7740245 0.88 PDE5A (0.59) PDE5APDE1APDE1BPDE1CPOLB
SCHEMBL7738293 0.87 PDE5A (0.61) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL7736922 0.87 PDE5A (0.64) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL6361664 0.85 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