SCHEMBL8684591

SCHEMBL8684591

COCCOCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncccn2)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.35
EDNRB P24530 8/20 0.35

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
SCHEMBL6641177 0.89 EDNRA (0.46) EDNRAEDNRB
SCHEMBL8687989 0.88 EDNRA (0.40) EDNRAEDNRB
SCHEMBL8684450 0.88 EDNRA (0.38) EDNRAEDNRB
SCHEMBL8684550 0.88 EDNRA (0.36) EDNRAEDNRB
SCHEMBL8684652 0.86 EDNRA (0.37) EDNRAEDNRB
SCHEMBL15703456 0.85 MAPT (0.35)
SCHEMBL6700336 0.82 EDNRA (0.48) EDNRAEDNRB
SCHEMBL8685255 0.80 EDNRA (0.53) EDNRAEDNRB
SCHEMBL4773487 0.78 EDNRB (0.35) EDNRAEDNRB
SCHEMBL30757333 0.78 EDNRA (0.37) 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 2 patents. 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
WO-1998004260-A1 SUBSTITUTED BIPHENYL SULFONAMIDE ENDOTHELIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO disclosed