SCHEMBL6897288

SCHEMBL6897288

CCOc1nc2ccc(C)c(C(N)=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.65
AGTR1 P30556 3/20 0.65

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
SCHEMBL6892200 0.90 EDNRA (0.72) EDNRAAGTR1
SCHEMBL4763879 0.86 EDNRA (0.63) EDNRAAGTR1
SCHEMBL4764630 0.85 EDNRA (0.63) EDNRAAGTR1
SCHEMBL4764818 0.85 EDNRA (0.62) EDNRAAGTR1
SCHEMBL4769561 0.85 EDNRA (0.62) EDNRAAGTR1
SCHEMBL4771323 0.80 EDNRA (0.79) EDNRAAGTR1
SCHEMBL27541742 0.79 EDNRA (0.53) EDNRAAGTR1
SCHEMBL4769522 0.79 EDNRA (1.00) EDNRAAGTR1
SCHEMBL27542926 0.78 EDNRA (0.54) EDNRAAGTR1
SCHEMBL4769441 0.78 EDNRA (1.00) 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