SCHEMBL5041423

SCHEMBL5041423

CCNC(=O)NCc1cc(-c2nc(OC)c(Oc3ccccc3OC)c(C(N)=O)n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHPS P49366 12/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EDNRA P25101 6/20 0.41
EDNRB P24530 4/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5041432 0.91 DHPS (0.49) DHPSEDNRAEDNRB
SCHEMBL7880777 0.86 EDNRA (0.46) DHPSEDNRAEDNRB
SCHEMBL5035334 0.85 EDNRA (0.51) DHPSEDNRAEDNRB
SCHEMBL5032801 0.85 EDNRA (0.47) DHPSEDNRAEDNRB
Hydrochloric Acid SCHEMBL5035305 0.85 DHPS (0.46) DHPSEDNRAEDNRB
SCHEMBL5041630 0.81 DHPS (0.46) DHPSEDNRAEDNRB
SCHEMBL5039291 0.80 DHPS (0.49) DHPSEDNRAEDNRB
SCHEMBL5032721 0.80 DHPS (0.49) DHPSEDNRAEDNRB
SCHEMBL5035324 0.79 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL5032703 0.77 MYC (0.46) DHPSEDNRAEDNRBSMN1; SMN2

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