SCHEMBL7076702

SCHEMBL7076702

CCCOc1ccccc1-c1nc(=O)c2[nH]ncc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.62
PDE4A P27815 3/20 0.56
PDE4B Q07343 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.52
PDE2A O00408 1/20 0.52
PDE6D O43924 1/20 0.52
USP2 O75604 1/20 0.52
PDE9A O76083 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL3701453 0.81 PDE5A (0.69) PDE5APDE4APDE4BPDE4CPDE4D
Zaprinast SCHEMBL30276335 0.79 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
Zaprinast SCHEMBL50329 0.79 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4452818 0.78 PDE5A (0.68) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7965712 0.77 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29230010 0.76 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10740756 0.74 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7402899 0.73 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9635857 0.72 PDE5A (0.71) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7722659 0.72 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D

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
US-20030070674-A1 Use of aerosolized compounds in the treatment of exercise induced pulmonary hemorrhage in an equine PULMONOX TECHNOLOGIES CORPORATION (CA) 2003-04-17 US claimed
US-20030070674-A1 Use of aerosolized compounds in the treatment of exercise induced pulmonary hemorrhage in an equine PULMONOX TECHNOLOGIES CORPORATION (CA) 2003-04-17 US disclosed