SCHEMBL8552678

SCHEMBL8552678

CCOC(=O)Oc1c(-c2ccc3nsnc3c2)c2cc(N)ccc2n1Cc1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.43
EDNRA P25101 2/20 0.39
ABL1 P00519 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RIN1 Q13671 1/20 0.36
PLA2G2A P14555 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8548293 0.91 EDNRB (0.45) EDNRBEDNRAMAPT
SCHEMBL8548588 0.87 EDNRB (0.40) EDNRBEDNRAABL1MAPTMAPK1
SCHEMBL8547872 0.86 EDNRB (0.48) EDNRBEDNRAPLA2G2A
SCHEMBL8548047 0.86 EDNRB (0.43) EDNRBEDNRAMAPTMAPK1PLA2G2A
SCHEMBL8551802 0.85 EDNRB (0.39) EDNRBEDNRAMAPTNPC1RAB9A
SCHEMBL8547858 0.84 EDNRB (0.43) EDNRBEDNRAABL1MAPTMAPK1
SCHEMBL8546234 0.83 EDNRB (0.57) EDNRBEDNRAMAPTMAPK1PLA2G2A
SCHEMBL8551818 0.83 EDNRB (0.41) EDNRBEDNRAABL1MAPTMAPK1
SCHEMBL8547749 0.82 EDNRB (0.41) EDNRBEDNRAPLA2G2A
SCHEMBL8552487 0.82 EDNRB (0.44) EDNRBEDNRAMAPT

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