SCHEMBL8548412

SCHEMBL8548412

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3ccc(N)cc23)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.62
EDNRA P25101 8/20 0.56
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
PLA2G2A P14555 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8549596 0.90 EDNRB (0.57) EDNRBEDNRAPLA2G2A
SCHEMBL8552564 0.90 EDNRB (0.66) EDNRBEDNRATP53POLB
SCHEMBL8550267 0.89 EDNRB (0.77) EDNRBEDNRAMAPT
SCHEMBL8548416 0.88 EDNRB (0.50) EDNRBEDNRATP53POLBPLA2G2A
SCHEMBL8550955 0.88 EDNRB (0.81) EDNRBEDNRATP53POLBMAPT
SCHEMBL8550227 0.87 EDNRB (0.58) EDNRBEDNRATP53POLBMAPT
SCHEMBL8546347 0.86 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8547198 0.85 EDNRB (0.55) EDNRBEDNRATP53PLA2G2AMAPT
SCHEMBL8548078 0.85 EDNRB (0.60) EDNRBEDNRATP53POLBMAPT
SCHEMBL8549315 0.84 EDNRB (0.64) EDNRBEDNRATP53POLB

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