SCHEMBL1259727

SCHEMBL1259727

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.69
EDNRB P24530 2/20 0.63

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
SCHEMBL16900663 0.93 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7850046 0.91 EDNRA (0.59) EDNRAEDNRB
SCHEMBL1258645 0.91 EDNRA (0.62) EDNRAEDNRB
SCHEMBL29770411 0.90 EDNRA (0.72) EDNRAEDNRB
SCHEMBL617288 0.90 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8324802 0.90 EDNRA (0.58) EDNRAEDNRB
SCHEMBL8326059 0.89 EDNRA (0.64) EDNRAEDNRB
SCHEMBL5686011 0.89 EDNRA (0.71) EDNRAEDNRB
SCHEMBL8328060 0.89 EDNRA (0.63) EDNRA
SCHEMBL625550 0.89 EDNRA (0.71) 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
WO-2011021216-A2 IMPROVED PROCESS FOR THE PREPARATION OF 4-(1,1-DIMETHYLETHYL)-N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)[2,2'-BIPYRIMIDIN]-4-YL]BENZENESULFONAMIDE MSN LABORATORIES LIMITED (IN) 2011-02-24 WO disclosed