SCHEMBL8551374

SCHEMBL8551374

CCCCN(C(N)=O)c1ccc2c(c1)c(-c1ccc(OC)cc1OC)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.47
EDNRA P25101 3/20 0.40
PLA2G2A P14555 5/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
CRHR1 P34998 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
SCHEMBL8549515 0.94 EDNRB (0.47) EDNRBEDNRAMAPTMEN1TP53
SCHEMBL8552637 0.93 EDNRB (0.44) EDNRBEDNRAPLA2G2AMAPTMEN1
SCHEMBL8624245 0.92 EDNRB (0.43) EDNRBEDNRAALDH1A1POLB
SCHEMBL8551968 0.91 EDNRB (0.55) EDNRBEDNRAPLA2G2AMAPTKMT2A
SCHEMBL8551372 0.90 EDNRB (0.57) EDNRBEDNRAPLA2G2ATP53POLB
SCHEMBL8547310 0.90 EDNRB (0.47) EDNRBEDNRAKMT2APOLB
SCHEMBL8551085 0.87 EDNRB (0.45) EDNRBEDNRAMAPTMEN1TP53
SCHEMBL8547200 0.87 EDNRB (0.45) EDNRBEDNRAPLA2G2AMAPTMEN1
SCHEMBL8551757 0.86 EDNRB (0.44) EDNRBEDNRAMAPTMEN1KMT2A
SCHEMBL8550816 0.85 EDNRB (0.43) 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