SCHEMBL2800529

SCHEMBL2800529

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(CCO)CCOCCO)ccc3OC)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.61
KDM4E B2RXH2 1/20 0.60
PDE2A O00408 2/20 0.59
PDE9A O76083 2/20 0.59
PDE4A P27815 2/20 0.59
PDE6C P51160 2/20 0.59
PDE1A P54750 2/20 0.59
PDE11A Q9HCR9 2/20 0.59
PDE10A Q9Y233 2/20 0.59
POLB P06746 1/20 0.56
PDE3B Q13370 2/20 0.56
PDE3A Q14432 2/20 0.56
KMT2A Q03164 1/20 0.56
ABCC4 O15439 1/20 0.54
ABCC5 O15440 1/20 0.54
PDE6D O43924 1/20 0.54
PDE8A O60658 1/20 0.54
ABCB11 O95342 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54

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
SCHEMBL2802379 0.95 PDE5A (0.66) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2801963 0.94 PDE5A (0.70) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2801358 0.89 PDE5A (0.72) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2800423 0.88 KDM4E (0.77) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2799590 0.87 PDE5A (0.66) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2799100 0.86 PDE5A (0.67) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2801050 0.86 PDE5A (0.70) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2799404 0.85 PDE5A (0.75) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2801945 0.84 KDM4E (0.66) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL2801372 0.84 KDM4E (0.73) PDE5AKDM4EPDE2APDE9APDE4A

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