SCHEMBL8548293

SCHEMBL8548293

CCOC(=O)Oc1c(-c2ccc3nsnc3c2)c2cc(N)ccc2n1Cc1cc(OC)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.45
EDNRA P25101 2/20 0.39
P2RX3 P56373 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALOX15 P16050 2/20 0.34
HPGD P15428 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
POLB P06746 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
SCHEMBL8552610 0.91 EDNRB (0.46) EDNRBEDNRAALDH1A1KDM4EHSD17B10
SCHEMBL8552678 0.91 EDNRB (0.43) EDNRBEDNRAMAPT
SCHEMBL8552500 0.89 EDNRB (0.57) EDNRBEDNRAALDH1A1KDM4EHSD17B10
SCHEMBL8547962 0.89 EDNRB (0.43) EDNRBEDNRAP2RX3ALDH1A1KDM4E
SCHEMBL8552639 0.88 EDNRB (0.43) EDNRBEDNRAALDH1A1GAAMAPT
SCHEMBL8546234 0.87 EDNRB (0.57) EDNRBEDNRAALDH1A1KDM4EHSD17B10
SCHEMBL8549381 0.87 EDNRB (0.43) EDNRBEDNRAALDH1A1KDM4EHSD17B10
SCHEMBL8547872 0.86 EDNRB (0.48) EDNRBEDNRAALDH1A1KDM4EHSD17B10
SCHEMBL8547971 0.85 EDNRB (0.48) EDNRBEDNRAALDH1A1KDM4EHSD17B10
SCHEMBL8547955 0.84 EDNRB (0.43) EDNRBEDNRAALDH1A1KDM4E

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