SCHEMBL8553159

SCHEMBL8553159

CCOC(=O)Oc1c(-c2ccc(OC)cc2)c2ccc(OC)cc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.54
EDNRA P25101 2/20 0.43
PLA2G2A P14555 2/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLA2G10 O15496 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL8548530 0.89 EDNRB (0.57) EDNRBEDNRAPLA2G2AGAAMAPT
SCHEMBL8547652 0.89 EDNRB (0.64) EDNRBEDNRAPLA2G2AGAAKDM4E
SCHEMBL8546234 0.88 EDNRB (0.57) EDNRBEDNRAPLA2G2AGAAKDM4E
SCHEMBL8550789 0.87 EDNRB (0.73) EDNRBEDNRAPLA2G2AGAAKDM4E
SCHEMBL8551108 0.87 EDNRB (0.50) EDNRBEDNRAPLA2G2AMAPTTP53
SCHEMBL8550986 0.86 EDNRB (0.51) EDNRBEDNRAGAAKDM4EHSD17B10
SCHEMBL8549274 0.86 EDNRB (0.55) EDNRBEDNRAGAAKDM4EHSD17B10
SCHEMBL8553017 0.86 EDNRB (0.54) EDNRBEDNRAGAAKDM4EHSD17B10
SCHEMBL8548809 0.86 EDNRB (0.54) EDNRBEDNRAPLA2G2A
SCHEMBL8549542 0.85 EDNRB (0.63) EDNRBEDNRAPLA2G2AGAAKDM4E

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