SCHEMBL8549342

SCHEMBL8549342

CCOC(=O)Oc1c(-c2ccc(OC)c(OC)c2)c2cc(N(C(N)=O)c3ccccc3)ccc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.45
EDNRA P25101 5/20 0.45
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
PLA2G2A P14555 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
PPARG P37231 1/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8552533 0.93 EDNRB (0.52) EDNRBEDNRALMNAPLA2G2AKMT2A
SCHEMBL8549812 0.92 EDNRB (0.41) EDNRBEDNRAPLA2G2AL3MBTL1
SCHEMBL8547912 0.92 EDNRB (0.43) EDNRBEDNRALMNAPLA2G2AMAPT
SCHEMBL8549391 0.90 EDNRB (0.44) EDNRBEDNRAPLA2G2AMEN1MAPT
SCHEMBL8546593 0.90 EDNRB (0.42) EDNRBEDNRAPLA2G2AKDM4EGAA
SCHEMBL8548588 0.90 EDNRB (0.40) EDNRBEDNRAPLA2G2AMAPTMAPK1
SCHEMBL8550774 0.87 EDNRB (0.43) EDNRBEDNRALMNAUSP2SMN1; SMN2
SCHEMBL8547872 0.86 EDNRB (0.48) EDNRBEDNRALMNASMN1; SMN2PLA2G2A
SCHEMBL8549580 0.85 EDNRB (0.54) EDNRBEDNRAPLA2G2AMAPT
SCHEMBL8552691 0.84 EDNRB (0.43) EDNRBEDNRALMNAUSP2SMN1; SMN2

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