SCHEMBL8684652

SCHEMBL8684652

CNCc1cc(-c2ncccn2)ccc1-c1ccccc1S(=O)(=O)N(COCCOC)c1noc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.37
EDNRB P24530 17/20 0.37

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
SCHEMBL8684450 0.91 EDNRA (0.38) EDNRAEDNRB
SCHEMBL8684550 0.91 EDNRA (0.36) EDNRAEDNRB
SCHEMBL8684591 0.86 EDNRA (0.35) EDNRAEDNRB
SCHEMBL8685255 0.84 EDNRA (0.53) EDNRAEDNRB
SCHEMBL6646134 0.81 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6638557 0.81 EDNRA (0.48) EDNRAEDNRB
SCHEMBL8685211 0.79 EDNRA (0.41) EDNRAEDNRB
SCHEMBL30171050 0.78 EDNRA (0.36) EDNRAEDNRB
SCHEMBL30171242 0.77 EDNRA (0.38) EDNRAEDNRB
SCHEMBL29001525 0.77 EDNRA (0.38) EDNRAEDNRB

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-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed