SCHEMBL7852059

SCHEMBL7852059

COc1cccc(-c2nc(Cl)c(Oc3ccccc3OC)c(NS(=O)(=O)c3ccc(C(C)C)cn3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.65
EDNRB P24530 18/20 0.58
DHPS P49366 1/20 0.54

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
SCHEMBL7972781 0.92 EDNRA (0.73) EDNRAEDNRB
SCHEMBL5496601 0.89 EDNRA (0.68) EDNRAEDNRB
SCHEMBL5208403 0.88 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6782354 0.87 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7892848 0.87 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7841308 0.87 EDNRA (0.72) EDNRAEDNRBDHPS
SCHEMBL6178987 0.86 EDNRA (0.64) EDNRAEDNRB
SCHEMBL5032747 0.85 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6785297 0.85 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7852469 0.85 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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