SCHEMBL8549608

SCHEMBL8549608

CCOC(=O)Oc1c(-c2ccc(OC)c(F)c2)c2cc(OCC)ccc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.54
EDNRA P25101 3/20 0.47
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CASR P41180 1/20 0.37

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
SCHEMBL8552514 0.95 EDNRB (0.62) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8552338 0.92 EDNRB (0.58) EDNRBEDNRAKDM4EHSD17B10KMT2A
SCHEMBL8547652 0.91 EDNRB (0.64) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8548507 0.91 EDNRB (0.54) EDNRBEDNRAGAASMN1; SMN2
SCHEMBL8551956 0.89 EDNRB (0.64) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8549140 0.89 EDNRB (0.48) EDNRBEDNRA
SCHEMBL8549097 0.86 EDNRB (0.67) EDNRBEDNRAKMT2AMAPTMEN1
SCHEMBL8549390 0.86 EDNRB (0.48) EDNRBEDNRA
SCHEMBL8550789 0.86 EDNRB (0.73) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8552334 0.86 EDNRB (0.73) EDNRBEDNRAKDM4EHSD17B10KMT2A

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