SCHEMBL4426254

SCHEMBL4426254

CCOCc1cc(C(N)c2cc(C)nc3ccnn23)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.34
AGTR1 P30556 1/20 0.34
EDNRB P24530 1/20 0.31

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
SCHEMBL4426251 0.84 EDNRA (0.40) EDNRAAGTR1EDNRB
SCHEMBL4423450 0.80 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL30517192 0.78 EDNRA (0.38) EDNRAAGTR1EDNRB
SCHEMBL4291679 0.78 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL31498371 0.77 EDNRA (0.38) EDNRAAGTR1EDNRB
SCHEMBL31498369 0.77 EDNRA (0.38) EDNRAAGTR1EDNRB
SCHEMBL535104 0.77 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30757240 0.77 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30757327 0.77 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30757382 0.77 EDNRA (0.38) 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 disclosed