SCHEMBL6892200

SCHEMBL6892200

CCc1nc2ccc(C)c(C(N)=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.72
AGTR1 P30556 3/20 0.69

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
SCHEMBL6897288 0.90 EDNRA (0.65) EDNRAAGTR1
SCHEMBL4771323 0.87 EDNRA (0.79) EDNRAAGTR1
SCHEMBL4771475 0.85 EDNRA (0.76) EDNRAAGTR1
SCHEMBL4769567 0.84 EDNRA (0.74) EDNRAAGTR1
SCHEMBL4773198 0.84 EDNRA (0.74) EDNRAAGTR1
SCHEMBL4769522 0.81 EDNRA (1.00) EDNRAAGTR1
SCHEMBL4769524 0.81 EDNRA (0.69) EDNRAAGTR1
SCHEMBL4771501 0.81 EDNRA (1.00) EDNRAAGTR1
SCHEMBL4769441 0.80 EDNRA (1.00) EDNRAAGTR1
SCHEMBL4764891 0.80 EDNRA (0.67) EDNRAAGTR1

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