SCHEMBL8395146

SCHEMBL8395146

COc1cccc(Oc2c(OCCOC(C)=O)nc(C(=O)ON)nc2S(=O)(=O)c2ccc(C(C)C)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.39
EDNRA P25101 20/20 0.39

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
SCHEMBL8397162 0.90 EDNRB (0.37) EDNRBEDNRA
SCHEMBL8395136 0.79 EDNRA (0.51) EDNRBEDNRA
SCHEMBL7590654 0.70 EDNRA (0.53) EDNRBEDNRA
SCHEMBL8397158 0.69 EDNRA (0.49) EDNRBEDNRA
SCHEMBL7596071 0.67 EDNRA (0.52) EDNRBEDNRA
SCHEMBL7591775 0.65 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8398732 0.65 EDNRA (0.42) EDNRBEDNRA
SCHEMBL7591710 0.63 EDNRA (0.56) EDNRBEDNRA
SCHEMBL8395712 0.63 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8399583 0.63 EDNRA (0.51) 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