SCHEMBL5035385

SCHEMBL5035385

CCOC(=N)c1cccc(OCc2ccccc2)c1.F[B-](F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
NR4A2 P43354 3/20 0.56
F2 P00734 6/20 0.52
SMPD1 P17405 1/20 0.51
F10 P00742 1/20 0.50
SRD5A2 P31213 1/20 0.50
PTPN1 P18031 1/20 0.49
KMT2A Q03164 1/20 0.47

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
SCHEMBL5036569 0.82 F2 (0.78) NR4A2F2F10
SCHEMBL31440116 0.82 MAOB (0.64) MAOBNR4A2F2SMPD1F10
SCHEMBL14280106 0.80 MAOB (0.58) MAOBNR4A2F2SRD5A2
SCHEMBL3731767 0.80 TP53 (0.50) KMT2A
SCHEMBL340106 0.80 MAOB (0.69) MAOBNR4A2SMPD1SRD5A2PTPN1
Hydrochloric Acid SCHEMBL26633553 0.79 MAOB (0.56) MAOBNR4A2F2SRD5A2
SCHEMBL13835961 0.79 MAOB (0.72) MAOBNR4A2F2SMPD1F10
SCHEMBL5370205 0.78 MAOB (0.51) MAOBKMT2A
Hydrochloric Acid SCHEMBL3138169 0.78 PRSS1 (0.50) F2KMT2A
SCHEMBL17978704 0.77 MAOB (0.66) MAOBNR4A2SMPD1SRD5A2PTPN1

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