SCHEMBL8551598

SCHEMBL8551598

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

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.86
EDNRA P25101 13/20 0.74
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8549095 0.94 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8548885 0.93 EDNRB (0.82) EDNRBEDNRA
SCHEMBL6314805 0.93 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6315563 0.90 EDNRB (0.92) EDNRBEDNRA
SCHEMBL8592784 0.89 EDNRB (0.87) EDNRBEDNRA
SCHEMBL8551602 0.89 EDNRB (0.69) EDNRBEDNRAKDM4EMEN1KMT2A
SCHEMBL8550955 0.89 EDNRB (0.81) EDNRBEDNRAMEN1KMT2A
SCHEMBL8550818 0.87 EDNRB (0.83) EDNRBEDNRA
SCHEMBL8550345 0.87 EDNRB (0.83) EDNRBEDNRA
SCHEMBL8550951 0.87 EDNRB (0.81) 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