SCHEMBL5041584

SCHEMBL5041584

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

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHPS P49366 20/20 0.52

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
SCHEMBL5041580 0.88 DHPS (0.44) DHPS
SCHEMBL5041643 0.88 DHPS (0.55) DHPS
SCHEMBL5032725 0.87 DHPS (0.59) DHPS
SCHEMBL5035326 0.86 DHPS (0.68) DHPS
SCHEMBL5632236 0.80 DHPS (0.47) DHPS
SCHEMBL5039297 0.80 DHPS (0.61) DHPS
Hydrochloric Acid SCHEMBL5035309 0.79 DHPS (0.55) DHPS
SCHEMBL5035343 0.79 DHPS (0.61) DHPS
SCHEMBL5032708 0.77 DHPS (0.53) DHPS
SCHEMBL2640206 0.77 DHPS (0.62) DHPS

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