SCHEMBL8649455

SCHEMBL8649455

CC(C)(C)c1ccc(S(=O)(=O)NC(=O)C(Br)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.48
EDNRB P24530 4/20 0.48

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
SCHEMBL8475729 0.88 EDNRA (0.61) EDNRAEDNRB
SCHEMBL6313692 0.78 EDNRB (0.48) EDNRAEDNRB
SCHEMBL8713173 0.74 KDM4E (0.46) EDNRAEDNRB
SCHEMBL7338764 0.74 EDNRA (0.84) EDNRAEDNRB
SCHEMBL8906392 0.74 EDNRB (0.52) EDNRAEDNRB
SCHEMBL7337610 0.73 EDNRA (0.73) EDNRAEDNRB
SCHEMBL8277083 0.73 ALDH1A1 (0.66)
SCHEMBL8952113 0.72 EDNRA (0.50) EDNRAEDNRB
Potassium SCHEMBL9263403 0.72 EDNRB (0.57) EDNRAEDNRB
SCHEMBL9263398 0.72 EDNRB (0.57) EDNRAEDNRB

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
US-5821256-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 US disclosed
EP-0758650-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed