SCHEMBL7839872

SCHEMBL7839872

CCOC(=O)c1ccc(C/C(C(=O)c2ccc(SC)cc2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.45

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
SCHEMBL7839873 1.00 EDNRA (0.45) EDNRA
SCHEMBL8153368 0.91 EDNRA (0.56) EDNRA
SCHEMBL8153365 0.91 EDNRA (0.56) EDNRA
SCHEMBL7840888 0.91 EDNRA (0.48) EDNRA
SCHEMBL7831595 0.91 EDNRA (0.48) EDNRA
SCHEMBL7840885 0.91 EDNRA (0.48) EDNRA
SCHEMBL7831596 0.91 EDNRA (0.48) EDNRA
SCHEMBL7841148 0.89 EDNRA (0.46) EDNRA
SCHEMBL7841149 0.89 EDNRA (0.46) EDNRA
SCHEMBL7841634 0.88 EDNRA (0.59) EDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882030-B1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GMBH (DE) 2001-09-12 EP disclosed
EP-0882030-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GmbH (DE) 1998-12-09 EP disclosed
WO-1997030982-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-08-28 WO disclosed