SCHEMBL7009161

SCHEMBL7009161

COc1ccc(Cl)c(Oc2c(COCC3OC(C)(C)OC3CO)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.51
EDNRB P24530 2/20 0.46

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
SCHEMBL7009165 1.00 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7013471 0.86 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7006879 0.85 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7007652 0.84 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7006386 0.84 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7008565 0.82 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7014774 0.82 EDNRA (0.53) EDNRAEDNRB
SCHEMBL9407242 0.82 EDNRA (0.54) EDNRAEDNRB
SCHEMBL9407241 0.82 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7009278 0.81 EDNRA (0.56) EDNRAEDNRB

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-0601386-A1 Sulphonamides F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP claimed
EP-0601386-B1 Sulphonamides HOFFMANN LA ROCHE (CH) 2003-02-05 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
EP-0601386-A1 Sulphonamides F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed