SCHEMBL8399583

SCHEMBL8399583

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C)cn3)nc(-c3ccco3)nc2OCCOC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.51
EDNRB P24530 16/20 0.51

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
SCHEMBL7591508 0.91 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8399581 0.86 EDNRA (0.44) EDNRAEDNRB
SCHEMBL8397158 0.85 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7580836 0.83 EDNRA (0.44) EDNRAEDNRB
SCHEMBL7591710 0.82 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8398843 0.78 DHPS (0.41) EDNRAEDNRB
SCHEMBL8399588 0.77 EDNRB (0.43) EDNRAEDNRB
SCHEMBL7598557 0.77 EDNRA (0.51) EDNRAEDNRB
SCHEMBL8395136 0.76 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7598561 0.76 EDNRA (0.50) 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