SCHEMBL8551956

SCHEMBL8551956

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.64
EDNRA P25101 6/20 0.55
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
CASR P41180 1/20 0.36

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 0.94 EDNRB (0.62) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8549319 0.93 EDNRB (0.61) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8550789 0.93 EDNRB (0.73) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8551602 0.92 EDNRB (0.69) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8547813 0.90 EDNRB (0.64) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8547424 0.90 EDNRB (0.61) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8549608 0.89 EDNRB (0.54) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8552500 0.88 EDNRB (0.57) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8546805 0.88 EDNRB (0.61) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8549940 0.88 EDNRB (0.61) EDNRBEDNRAKDM4EHSD17B10GAA

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