SCHEMBL8548527

SCHEMBL8548527

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OC)ccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.73
EDNRA P25101 7/20 0.61
TP53 P04637 6/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL8547092 0.94 EDNRB (0.68) EDNRBEDNRATP53MAPTPOLB
SCHEMBL8550228 0.92 EDNRB (0.85) EDNRBEDNRA
SCHEMBL8546989 0.92 EDNRB (0.87) EDNRBEDNRATP53MAPTPOLB
SCHEMBL8553793 0.91 EDNRB (0.70) EDNRBEDNRATP53MAPTPOLB
SCHEMBL8550885 0.91 EDNRB (0.74) EDNRBEDNRATP53MAPT
SCHEMBL8547246 0.88 EDNRA (0.81) EDNRBEDNRA
SCHEMBL8550267 0.87 EDNRB (0.77) EDNRBEDNRAMAPT
SCHEMBL8548530 0.87 EDNRB (0.57) EDNRBEDNRATP53MAPTPOLB
SCHEMBL6322213 0.86 EDNRB (0.87) EDNRBEDNRATP53MAPT
SCHEMBL8552837 0.85 EDNRB (0.67) EDNRBEDNRATP53MAPTPOLB

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