SCHEMBL8550774

SCHEMBL8550774

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.43
EDNRA P25101 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
USP2 O75604 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL8552691 0.94 EDNRB (0.43) EDNRBEDNRASMN1; SMN2LMNAUSP2
SCHEMBL8548173 0.93 EDNRB (0.52) EDNRBEDNRALMNAUSP2KMT2A
SCHEMBL8547310 0.92 EDNRB (0.47) EDNRBEDNRAKMT2APOLBRAD52
SCHEMBL8553120 0.92 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8552857 0.91 EDNRB (0.40) EDNRBEDNRALMNAPOLBALDH1A1
SCHEMBL8552637 0.90 EDNRB (0.44) EDNRBEDNRALMNAKMT2APOLB
SCHEMBL8551113 0.90 EDNRB (0.41) EDNRBEDNRA
SCHEMBL8549342 0.87 EDNRB (0.45) EDNRBEDNRASMN1; SMN2LMNAUSP2
SCHEMBL8548743 0.87 EDNRB (0.52) EDNRBEDNRALMNAKMT2APOLB
SCHEMBL8551305 0.87 EDNRB (0.47) EDNRBEDNRAKMT2APOLBRAD52

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