SCHEMBL6777477

SCHEMBL6777477

CCOC(OC)N(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.42
EDNRB P24530 4/20 0.42

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
SCHEMBL6772980 0.91 EDNRB (0.41) EDNRAEDNRB
SCHEMBL8056643 0.84 EDNRA (0.43) EDNRAEDNRB
SCHEMBL6777479 0.81 EDNRB (0.44) EDNRAEDNRB
SCHEMBL6772649 0.80 TDP1 (0.34)
SCHEMBL6776263 0.79 EDNRA (0.46) EDNRA
SCHEMBL6777054 0.79 EDNRA (0.46) EDNRA
SCHEMBL6771344 0.78 EDNRB (0.43) EDNRAEDNRB
SCHEMBL4632109 0.77 EDNRB (0.43) EDNRAEDNRB
SCHEMBL4770889 0.76 EDNRB (0.40) EDNRAEDNRB
SCHEMBL4632432 0.76 MAPT (0.36)

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-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed