SCHEMBL7415372

SCHEMBL7415372

COc1ccccc1Oc1c(Cl)nc(-c2cc[nH]c(=O)c2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHPS P49366 18/20 0.50
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.40

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
SCHEMBL7417512 0.89 DHPS (0.44) DHPSUSP2LMNAESR1TP53
SCHEMBL4061451 0.81 DHPS (0.58) DHPS
SCHEMBL4062097 0.78 DHPS (0.51) DHPS
SCHEMBL6585958 0.78 DHPS (0.55) DHPS
SCHEMBL5036558 0.77 DHPS (0.48) DHPS
SCHEMBL7441080 0.77 EDNRA (0.45) DHPSTP53MAPTTSHRMAPK1
SCHEMBL5035045 0.76 DHPS (0.57) DHPS
SCHEMBL7979535 0.76 EDNRB (0.50) DHPSUSP2LMNAESR1TP53
SCHEMBL5632776 0.75 DHPS (0.43) DHPS
SCHEMBL6179187 0.74 DHPS (0.44) DHPSMAPTHTT

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-1185525-A1 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-13 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
WO-2000052007-A1 4-HETEROCYCLYSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-08 WO 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