SCHEMBL5035360

SCHEMBL5035360

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(CO)c2)nc1OC

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.85
EDNRB P24530 18/20 0.85

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
SCHEMBL7972703 0.92 EDNRA (1.00) EDNRAEDNRB
SCHEMBL5032669 0.91 EDNRA (0.72) EDNRAEDNRB
SCHEMBL5035299 0.91 EDNRA (0.84) EDNRAEDNRB
SCHEMBL5035173 0.89 EDNRA (0.74) EDNRAEDNRB
SCHEMBL5032758 0.88 EDNRA (0.78) EDNRAEDNRB
SCHEMBL5035273 0.88 EDNRA (0.78) EDNRAEDNRB
SCHEMBL5039394 0.88 EDNRA (0.78) EDNRAEDNRB
SCHEMBL5039281 0.88 EDNRA (0.77) EDNRAEDNRB
SCHEMBL5036555 0.88 EDNRA (0.77) EDNRAEDNRB
SCHEMBL5204847 0.87 EDNRA (1.00) 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
EP-1149091-B1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed