SCHEMBL8547858

SCHEMBL8547858

CCOC(=O)Oc1c(-c2ccc3nsnc3c2)c2cc(OC)c(OC3CCCC3)cc2n1Cc1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.43
EDNRA P25101 1/20 0.43
ABL1 P00519 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RIN1 Q13671 1/20 0.37
PDE4B Q07343 4/20 0.36
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
EPHX2 P34913 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL8547955 0.92 EDNRB (0.43) EDNRBEDNRAPDE4BPDE4APDE4C
SCHEMBL8547597 0.89 EDNRB (0.47) EDNRBEDNRAPDE4BPDE4APDE4C
SCHEMBL8552935 0.87 EDNRB (0.60) EDNRBEDNRAMAPT
SCHEMBL8547128 0.86 EDNRB (0.49) EDNRBEDNRAPDE4BPDE4APDE4C
SCHEMBL8551818 0.84 EDNRB (0.41) EDNRBEDNRAABL1MAPTMAPK1
SCHEMBL8552678 0.84 EDNRB (0.43) EDNRBEDNRAABL1MAPTMAPK1
SCHEMBL8552610 0.83 EDNRB (0.46) EDNRBEDNRAMAPT
SCHEMBL8550952 0.83 EDNRB (0.46) EDNRBEDNRAPDE4BPDE4APDE4C
SCHEMBL8547749 0.83 EDNRB (0.41) EDNRBEDNRA
SCHEMBL8552487 0.83 EDNRB (0.44) EDNRBEDNRAMAPT

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-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed