SCHEMBL8553472

SCHEMBL8553472

CCCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.81
EDNRA P25101 13/20 0.81
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL8550808 0.91 EDNRB (0.67) EDNRBEDNRA
SCHEMBL6313805 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8552415 0.89 EDNRB (0.65) EDNRBEDNRA
SCHEMBL6661772 0.88 EDNRB (0.79) EDNRBEDNRA
SCHEMBL8592785 0.88 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8551602 0.85 EDNRB (0.69) EDNRBEDNRAMEN1KMT2A
SCHEMBL8550822 0.85 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8550347 0.85 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8547247 0.85 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8549097 0.84 EDNRB (0.67) EDNRBEDNRAMEN1KMT2A

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