SCHEMBL8551991

SCHEMBL8551991

NC(=O)N(c1ccccc1)c1ccc2c(c1)c(-c1ccc(C=O)cc1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.52
EDNRA P25101 10/20 0.47
SERPINE1 P05121 5/20 0.41
LMNA P02545 2/20 0.37
PSMD14 O00487 1/20 0.37
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL8550963 0.91 EDNRB (0.54) EDNRBEDNRASERPINE1
SCHEMBL8551994 0.89 EDNRB (0.42) EDNRBEDNRASERPINE1
SCHEMBL8549579 0.88 EDNRB (0.68) EDNRBEDNRASERPINE1
SCHEMBL8545779 0.85 EDNRB (0.55) EDNRBEDNRASERPINE1
SCHEMBL8546593 0.85 EDNRB (0.42) EDNRBEDNRAKDM4E
SCHEMBL8549025 0.84 EDNRB (0.62) EDNRBEDNRASERPINE1
SCHEMBL8550747 0.84 EDNRB (0.58) EDNRBEDNRASERPINE1LMNAPSMD14
SCHEMBL8553149 0.83 EDNRB (0.52) EDNRBEDNRASERPINE1
SCHEMBL8655564 0.81 EDNRB (0.56) EDNRBEDNRASERPINE1
SCHEMBL8547198 0.80 EDNRB (0.55) EDNRBEDNRAMEN1KMT2A

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