SCHEMBL8551602

SCHEMBL8551602

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.69
EDNRA P25101 7/20 0.59
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.37
PDE7A Q13946 1/20 0.37
PLA2G2A P14555 1/20 0.36
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
SCHEMBL8549097 0.94 EDNRB (0.67) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL8548888 0.93 EDNRB (0.65) EDNRBEDNRAPLA2G2A
SCHEMBL6661772 0.93 EDNRB (0.79) EDNRBEDNRAPLA2G2A
SCHEMBL8551956 0.92 EDNRB (0.64) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8592785 0.90 EDNRB (0.69) EDNRBEDNRAKDM4EHSD17B10PLA2G2A
SCHEMBL8550960 0.89 EDNRB (0.66) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8551598 0.89 EDNRB (0.86) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8550953 0.88 EDNRB (0.64) EDNRBEDNRAPLA2G2A
SCHEMBL8550347 0.88 EDNRB (0.66) EDNRBEDNRAKDM4EHSD17B10PLA2G2A
SCHEMBL8552338 0.88 EDNRB (0.58) EDNRBEDNRAMEN1KMT2AKDM4E

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