SCHEMBL8667966

SCHEMBL8667966

COc1ccc2nc(COC(=O)c3ccccc3)nc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.58
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
CLK4 Q9HAZ1 1/20 0.51
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.47
EDNRA P25101 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7494736 0.85 PDE5A (0.63) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7495450 0.84 PDE5A (0.68) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7500789 0.81 PDE5A (0.67) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7491171 0.80 PDE5A (0.71) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL27528448 0.80 PDE5A (0.65) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7497088 0.79 PDE5A (0.72) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7498013 0.79 PDE5A (0.67) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7491208 0.78 PDE5A (0.71) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7495967 0.78 PDE5A (0.67) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7504937 0.77 PDE5A (0.68) PDE5AKMT2AMEN1ALDH1A1HPGD

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
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed