SCHEMBL5036458

SCHEMBL5036458

COC(=O)c1cc(-c2nc(NS(=O)(=O)c3ncc(C)s3)c(Oc3ccccc3OC)c(OC)n2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.56
EDNRB P24530 15/20 0.56
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
DHPS P49366 1/20 0.45
NR1H3 Q13133 1/20 0.45
NR1I3 Q14994 1/20 0.45

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
SCHEMBL5036533 0.94 EDNRA (0.56) EDNRAEDNRB
SCHEMBL5036528 0.94 EDNRA (0.56) EDNRAEDNRB
SCHEMBL5204432 0.88 EDNRA (0.72) EDNRAEDNRB
SCHEMBL5039492 0.87 EDNRA (0.55) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5036163 0.85 EDNRA (0.77) EDNRAEDNRB
SCHEMBL5032727 0.83 EDNRA (0.49) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5041577 0.83 EDNRA (0.49) EDNRAEDNRBDHPS
SCHEMBL5035273 0.82 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7248679 0.82 EDNRA (0.57) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5036097 0.82 EDNRA (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149091-B1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1149091-A1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242601-B1 ENDOTHELIN RECEPTORS INHIBITORS SUCH AS 4-(4-METHOXY-5-(2-METHOXY-PHENOXY)-6-(5-METHYL-PYRIDINE-2-SULF ONYLAMINO)-PYRIMIDIN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID USED TO TREAT CARDIOVASCULAR SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2001-06-05 US disclosed
WO-2000042035-A1 4-(HETEROCYCLYLSULFONAMIDO) -5-METHOXY-6- (2-METHOXYPHENOXY) -2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-07-20 WO disclosed