SCHEMBL8480667

SCHEMBL8480667

CCCOc1ccc(S(=O)(=O)N(CC)CCCN2CCOCC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.69
POLB P06746 1/20 0.66
PDE6C P51160 1/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
PDE3B Q13370 1/20 0.59
PDE3A Q14432 1/20 0.59

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
SCHEMBL13990515 0.96 PDE5A (0.68) PDE5APOLBPDE6CPDE3BPDE3A
SCHEMBL8502132 0.92 PDE5A (0.64) PDE5APOLBPDE6CHDAC1HDAC2
SCHEMBL8503916 0.91 POLB (0.76) PDE5APOLBPDE6CPDE3BPDE3A
SCHEMBL8504153 0.91 PDE5A (0.75) PDE5APOLBPDE6CHDAC1HDAC6
SCHEMBL13065811 0.91 PDE5A (0.69) PDE5APOLBPDE6CPDE3BPDE3A
SCHEMBL8512077 0.91 PDE5A (0.66) PDE5APOLBPDE6C
SCHEMBL13990504 0.90 PDE5A (0.69) PDE5APOLBPDE6CPDE3BPDE3A
SCHEMBL8490889 0.89 PDE5A (0.67) PDE5APOLBPDE6CPDE3BPDE3A
SCHEMBL8479728 0.89 POLB (0.64) PDE5APOLBPDE6CHDAC1HDAC6
SCHEMBL8488497 0.89 POLB (0.68) PDE5APOLBPDE6CPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253632-B1 Pyrazolopyramidinone derivatives, their preparation and their use TOPHARMAN SHANGHAI CO LTD (CN) 2012-05-23 EP disclosed
EP-2253632-A1 Pyrazolopyramidinone derivatives, their preparation and their use Topharman Shanghai Co., Ltd. (CN) 2010-11-24 EP disclosed
EP-1961753-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Topharman Shanghai Co., Ltd. (CN) 2008-08-27 EP disclosed