SCHEMBL5529066

SCHEMBL5529066

CCCCc1ccccc1-c1ccc(COS(C)(=O)=O)cc1S(=O)(=O)N(COCC[Si](C)(C)C)c1onc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.35
AGTR1 P30556 4/20 0.34

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
SCHEMBL4765078 0.94 EDNRA (0.38) EDNRAAGTR1
SCHEMBL5531220 0.89 EDNRA (0.37) EDNRAAGTR1
SCHEMBL4770728 0.88 EDNRA (0.38) EDNRAAGTR1
SCHEMBL5529070 0.87 EDNRA (0.34) EDNRAAGTR1
SCHEMBL5531005 0.87 EDNRA (0.41) EDNRAAGTR1
SCHEMBL4770730 0.86 EDNRA (0.38) EDNRAAGTR1
SCHEMBL4772907 0.86 EDNRA (0.35) EDNRAAGTR1
SCHEMBL4769076 0.84 EDNRA (0.38) EDNRAAGTR1
SCHEMBL4765031 0.84 EDNRA (0.34) EDNRAAGTR1
SCHEMBL4774085 0.84 EDNRA (0.36) EDNRA

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
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed