SCHEMBL7095979

SCHEMBL7095979

CCCOc1ccc(S(=O)(=O)NC(C)CN2CCCC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.69
KDM4E B2RXH2 1/20 0.65
KMT2A Q03164 1/20 0.60
PDE2A O00408 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCC5 O15440 1/20 0.60
PDE6D O43924 1/20 0.60
PDE8A O60658 1/20 0.60
PDE9A O76083 1/20 0.60
ABCB11 O95342 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
PDE6A P16499 1/20 0.60
PDE6G P18545 1/20 0.60
PDE4A P27815 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
ADRA1A P35348 1/20 0.60
PDE6B P35913 1/20 0.60
PDE6C P51160 1/20 0.60

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
SCHEMBL2798451 0.89 KDM4E (0.69) PDE5AKDM4EKMT2APDE2APDE9A
SCHEMBL7095230 0.88 PDE5A (0.66) PDE5AKDM4EKMT2APDE2AABCC4
SCHEMBL2795731 0.88 KDM4E (0.68) PDE5AKDM4EKMT2APDE2APDE9A
SCHEMBL2803557 0.86 PDE5A (0.69) PDE5AKDM4EKMT2APDE2APDE9A
SCHEMBL2800187 0.86 KDM4E (0.65) PDE5AKDM4EKMT2APDE2AABCC5
SCHEMBL7094034 0.85 KDM4E (0.83) PDE5AKDM4EKMT2APDE2AABCC4
SCHEMBL15809017 0.84 PDE5A (0.68) PDE5AKDM4EKMT2APDE2AABCC4
SCHEMBL2803636 0.84 KDM4E (0.69) PDE5AKDM4EKMT2APDE2APDE9A
SCHEMBL2801945 0.83 KDM4E (0.66) PDE5AKDM4EKMT2APDE2APDE9A
Hydrochloric Acid SCHEMBL15809224 0.83 PDE5A (0.67) PDE5AKDM4EKMT2APDE2AABCC4

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 disclosed