SCHEMBL7841308

SCHEMBL7841308

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

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.72
EDNRB P24530 18/20 0.72
DHPS P49366 1/20 0.59

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
SCHEMBL7849626 0.89 EDNRA (0.80) EDNRAEDNRBDHPS
SCHEMBL7435840 0.88 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7851883 0.87 EDNRA (0.84) EDNRAEDNRB
SCHEMBL6585231 0.87 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7852059 0.87 EDNRA (0.65) EDNRAEDNRBDHPS
SCHEMBL5035173 0.86 EDNRA (0.74) EDNRAEDNRB
SCHEMBL6583682 0.86 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7849058 0.86 EDNRA (0.68) EDNRAEDNRB
SCHEMBL5035030 0.85 EDNRA (0.71) EDNRAEDNRB
SCHEMBL7591710 0.84 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed
WO-1996016963-A1 SULFONAMIDES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-06 WO 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