SCHEMBL8398693

SCHEMBL8398693

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(C(=O)O)nc2OCCOC(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.62
EDNRA P25101 2/20 0.62

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
SCHEMBL7591775 0.93 EDNRB (0.51) EDNRBEDNRA
SCHEMBL7594344 0.91 EDNRB (0.63) EDNRBEDNRA
SCHEMBL7586114 0.91 EDNRA (0.75) EDNRBEDNRA
SCHEMBL7602383 0.90 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8395257 0.88 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8399577 0.88 EDNRA (0.61) EDNRBEDNRA
SCHEMBL8397142 0.87 EDNRA (0.70) EDNRBEDNRA
SCHEMBL7584274 0.85 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7946111 0.84 EDNRA (0.73) EDNRBEDNRA
SCHEMBL7589737 0.83 EDNRA (0.62) EDNRBEDNRA

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