SCHEMBL8552334

SCHEMBL8552334

CCOc1ccc2c(c1)c(-c1ccc(OC)c(F)c1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.73
EDNRA P25101 11/20 0.63
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8549095 0.94 EDNRB (0.84) EDNRBEDNRA
SCHEMBL6322213 0.91 EDNRB (0.87) EDNRBEDNRAMEN1KMT2A
SCHEMBL8552338 0.89 EDNRB (0.58) EDNRBEDNRAKDM4EMEN1KMT2A
SCHEMBL6314803 0.88 EDNRB (0.80) EDNRBEDNRAKMT2ASMN1; SMN2
SCHEMBL8547973 0.88 EDNRB (0.75) EDNRBEDNRA
SCHEMBL8551598 0.87 EDNRB (0.86) EDNRBEDNRAKDM4EMEN1KMT2A
SCHEMBL8551276 0.87 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8549608 0.86 EDNRB (0.54) EDNRBEDNRAKDM4EMEN1KMT2A
SCHEMBL8550228 0.84 EDNRB (0.85) EDNRBEDNRA
SCHEMBL8551777 0.84 EDNRB (0.65) EDNRBEDNRA

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