SCHEMBL8546349

SCHEMBL8546349

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3ccc(N)cc23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.52
EDNRA P25101 5/20 0.52
SLC2A1 P11166 1/20 0.36
PLA2G2A P14555 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
QPCT Q16769 3/20 0.35
QPCTL Q9NXS2 3/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
FEN1 P39748 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
SCHEMBL8550269 0.91 EDNRB (0.60) EDNRBEDNRAPLA2G2AMEN1MAPT
SCHEMBL8547872 0.90 EDNRB (0.48) EDNRBEDNRAPLA2G2AQPCTQPCTL
SCHEMBL8549602 0.88 EDNRB (0.46) EDNRBEDNRAPLA2G2A
SCHEMBL8546347 0.88 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8552478 0.88 EDNRB (0.48) EDNRBEDNRAPLA2G2AKDM4E
SCHEMBL8546737 0.87 EDNRB (0.49) EDNRBEDNRAMEN1MAPTKMT2A
SCHEMBL8548416 0.87 EDNRB (0.50) EDNRBEDNRAPLA2G2AMEN1TP53
SCHEMBL8551602 0.86 EDNRB (0.69) EDNRBEDNRAPLA2G2AMEN1TP53
SCHEMBL8550751 0.85 EDNRB (0.46) EDNRBEDNRAPLA2G2AKDM4E
SCHEMBL8547974 0.85 EDNRB (0.59) EDNRBEDNRA

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