SCHEMBL8399581

SCHEMBL8399581

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C)cn3)nc(-c3ccco3)nc2OC(C)OC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.44
EDNRB P24530 16/20 0.44

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
SCHEMBL8399583 0.86 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7591508 0.85 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7580836 0.83 EDNRA (0.44) EDNRAEDNRB
SCHEMBL7591710 0.79 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8399587 0.77 EDNRB (0.42) EDNRAEDNRB
SCHEMBL7589754 0.76 EDNRA (0.47) EDNRAEDNRB
SCHEMBL8399588 0.75 EDNRB (0.43) EDNRAEDNRB
SCHEMBL8395710 0.74 EDNRB (0.45) EDNRAEDNRB
SCHEMBL8398581 0.73 NPBWR1 (0.35) EDNRAEDNRB
SCHEMBL8398843 0.72 DHPS (0.41) 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-5856484-A Sulfonylaminopyrimidine carboxylic acid derivatives having endothelin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed