SCHEMBL5041580

SCHEMBL5041580

C=CCOc1cc(-c2nc(OC)c(Oc3ccccc3OC)c(C(N)=O)n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHPS P49366 13/20 0.44
EDNRA P25101 6/20 0.40
EDNRB P24530 3/20 0.40
PARP1 P09874 1/20 0.38

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
SCHEMBL5041630 0.89 DHPS (0.46) DHPSEDNRAEDNRB
SCHEMBL5035324 0.89 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL5032721 0.89 DHPS (0.49) DHPSEDNRAEDNRB
SCHEMBL5041584 0.88 DHPS (0.52) DHPS
SCHEMBL5039291 0.83 DHPS (0.49) DHPSEDNRAEDNRB
SCHEMBL5035334 0.82 EDNRA (0.51) DHPSEDNRAEDNRB
SCHEMBL5632224 0.82 EDNRB (0.42) DHPSEDNRAEDNRB
Hydrochloric Acid SCHEMBL5035305 0.81 DHPS (0.46) DHPSEDNRAEDNRB
SCHEMBL5032703 0.79 MYC (0.46) DHPSEDNRAEDNRB
SCHEMBL2640202 0.79 EDNRA (0.52) DHPSEDNRAEDNRB

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