SCHEMBL2801050

SCHEMBL2801050

CCCOc1ccc(S(=O)(=O)NC(CCO)CCCCO)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.70
PDE2A O00408 1/20 0.69
PDE9A O76083 1/20 0.69
PDE4A P27815 1/20 0.69
PDE6C P51160 1/20 0.69
PDE1A P54750 1/20 0.69
PDE11A Q9HCR9 1/20 0.69
PDE10A Q9Y233 1/20 0.69
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.60
KMT2A Q03164 1/20 0.59
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57

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
SCHEMBL2799590 0.95 PDE5A (0.66) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2799100 0.94 PDE5A (0.67) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2800685 0.93 PDE5A (0.63) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2800423 0.91 KDM4E (0.77) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2798880 0.90 PDE5A (0.65) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2802513 0.90 PDE5A (0.62) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2801358 0.89 PDE5A (0.72) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2803636 0.89 KDM4E (0.69) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2802379 0.89 PDE5A (0.66) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2801945 0.89 KDM4E (0.66) PDE5APDE2APDE9APDE4APDE6C

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
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