SCHEMBL8547424

SCHEMBL8547424

CCCOc1ccc2c(c1)c(-c1ccc(OC)cc1OC)c(OC(=O)OCC)n2Cc1ccc2nsnc2c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.61
EDNRA P25101 4/20 0.52
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G2A P14555 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8546037 0.94 EDNRB (0.60) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8550960 0.92 EDNRB (0.66) EDNRBEDNRAKDM4EMAPTKMT2A
SCHEMBL8550789 0.90 EDNRB (0.73) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8551956 0.90 EDNRB (0.64) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8547971 0.89 EDNRB (0.48) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8549319 0.89 EDNRB (0.61) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8552514 0.88 EDNRB (0.62) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8549234 0.88 EDNRB (0.52) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8548161 0.87 EDNRB (0.46) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8551626 0.87 EDNRB (0.46) EDNRBEDNRAKDM4EGAAHSD17B10

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