SCHEMBL6895228

SCHEMBL6895228

CCCN(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1)c1nccc(C)c1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.56
EDNRB P24530 8/20 0.56
AGTR1 P30556 2/20 0.54

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
SCHEMBL4769508 0.85 EDNRA (0.58) EDNRAEDNRBAGTR1
SCHEMBL4770839 0.84 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7948222 0.76 EDNRA (0.74) EDNRAEDNRB
SCHEMBL6773334 0.75 EDNRA (0.75) EDNRAEDNRB
SCHEMBL4769784 0.74 AGTR1 (0.54) EDNRAEDNRBAGTR1
SCHEMBL6897288 0.74 EDNRA (0.65) EDNRAAGTR1
SCHEMBL6892200 0.74 EDNRA (0.72) EDNRAAGTR1
SCHEMBL7947185 0.73 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4769409 0.73 AGTR1 (0.50) EDNRAEDNRBAGTR1
SCHEMBL6771792 0.73 EDNRA (0.72) EDNRAEDNRBAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835741-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed