SCHEMBL4424920

SCHEMBL4424920

CCOCc1cc(C(NC)c2cc(C)nc3ccnn23)ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.47
AGTR1 P30556 2/20 0.47
EDNRB P24530 7/20 0.39

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
SCHEMBL4423450 0.84 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL4424315 0.82 EDNRA (0.55) EDNRAAGTR1EDNRB
SCHEMBL4424916 0.81 EDNRA (0.52) EDNRAAGTR1EDNRB
SCHEMBL4563627 0.79 EDNRA (0.51) EDNRAAGTR1EDNRB
SCHEMBL4563629 0.79 EDNRA (0.49) EDNRAAGTR1EDNRB
SCHEMBL30171018 0.76 EDNRA (0.56) EDNRAAGTR1EDNRB
SCHEMBL4421491 0.76 EDNRA (0.47) EDNRAAGTR1EDNRB
SCHEMBL31229191 0.76 EDNRA (0.57) EDNRAAGTR1EDNRB
SCHEMBL31229092 0.76 EDNRA (0.57) EDNRAAGTR1EDNRB
SCHEMBL4426254 0.75 EDNRA (0.34) EDNRAAGTR1EDNRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO claimed