SCHEMBL4291679

SCHEMBL4291679

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.43
AGTR1 P30556 3/20 0.43
EDNRB P24530 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32

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
SCHEMBL26688766 0.92 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30757240 0.92 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL535104 0.92 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30757327 0.92 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL534996 0.92 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL13599899 0.91 EDNRA (0.43) EDNRAAGTR1EDNRBCSNK2A2CSNK2B
SCHEMBL30844583 0.90 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30844562 0.89 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL30517192 0.89 EDNRA (0.38) EDNRAAGTR1EDNRB
SCHEMBL30296110 0.87 EDNRA (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009158309-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-30 WO disclosed
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed