SCHEMBL7095810

SCHEMBL7095810

CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1nc2c(CC(C)C)nn(C)c2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.62
KDM4E B2RXH2 1/20 0.60
PDE2A O00408 1/20 0.57
PDE9A O76083 1/20 0.57
PDE4A P27815 1/20 0.57
PDE6C P51160 1/20 0.57
PDE1A P54750 1/20 0.57
PDE11A Q9HCR9 1/20 0.57
PDE10A Q9Y233 1/20 0.57
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
HIF1A Q16665 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55

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
SCHEMBL7096759 0.92 PDE5A (0.66) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7099829 0.89 KDM4E (0.61) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7001170 0.86 KDM4E (0.58) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7092194 0.84 KDM4E (0.65) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7092377 0.82 PDE5A (0.60) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7001089 0.81 KDM4E (0.61) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7002311 0.81 KDM4E (0.62) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7005470 0.80 KDM4E (0.60) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7096090 0.80 PDE5A (0.60) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL7096466 0.80 PDE5A (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129093-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF IMPOTENCE DONG A PHARM CO LTD (KR) 2003-07-23 EP claimed