SCHEMBL8552637

SCHEMBL8552637

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.44
EDNRA P25101 2/20 0.37
MAPT P10636 5/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CRHR1 P34998 2/20 0.32
POLB P06746 1/20 0.32
PLA2G2A P14555 5/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL8551757 0.94 EDNRB (0.44) EDNRBEDNRAMAPTALDH1A1LMNA
SCHEMBL8551374 0.93 EDNRB (0.47) EDNRBEDNRAMAPTALDH1A1LMNA
SCHEMBL8552857 0.92 EDNRB (0.40) EDNRBEDNRAMAPTALDH1A1LMNA
SCHEMBL8548173 0.91 EDNRB (0.52) EDNRBEDNRAMAPTALDH1A1LMNA
SCHEMBL8550774 0.90 EDNRB (0.43) EDNRBEDNRAMAPTALDH1A1LMNA
SCHEMBL8549391 0.87 EDNRB (0.44) EDNRBEDNRAMAPTPLA2G2AKMT2A
SCHEMBL8551372 0.87 EDNRB (0.57) EDNRBEDNRAPOLBPLA2G2ATP53
SCHEMBL8549515 0.86 EDNRB (0.47) EDNRBEDNRAMAPTALDH1A1LMNA
SCHEMBL8552575 0.86 EDNRB (0.40) EDNRBEDNRA
SCHEMBL8553120 0.86 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