SCHEMBL7840912

SCHEMBL7840912

COc1ccccc1Oc1c(NS(=O)(=O)c2c(C)noc2C)nc(N2CCOCC2)nc1OCCO

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.60
EDNRB P24530 18/20 0.60

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
SCHEMBL7849265 0.87 EDNRB (0.76) EDNRAEDNRB
SCHEMBL7852433 0.84 EDNRB (0.82) EDNRAEDNRB
SCHEMBL7840620 0.83 EDNRA (0.73) EDNRAEDNRB
SCHEMBL8326145 0.83 EDNRA (0.67) EDNRAEDNRB
SCHEMBL8326900 0.83 EDNRA (0.82) EDNRAEDNRB
SCHEMBL4060592 0.82 EDNRA (0.63) EDNRAEDNRB
SCHEMBL9043801 0.82 EDNRB (0.69) EDNRAEDNRB
SCHEMBL14380726 0.81 EDNRA (0.79) EDNRAEDNRB
SCHEMBL6582937 0.81 EDNRB (0.83) EDNRAEDNRB
SCHEMBL7841038 0.81 EDNRA (0.60) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP disclosed
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed
WO-1996016963-A1 SULFONAMIDES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-06 WO disclosed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP disclosed