SCHEMBL6973006

SCHEMBL6973006

COc1ccccc1Oc1c(N)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 17/20 0.50
EDNRB P24530 3/20 0.41
EDNRA P25101 3/20 0.41

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
SCHEMBL6973000 0.90 EDNRA (0.43) DHPSEDNRBEDNRA
SCHEMBL5654649 0.89 DHPS (0.62) DHPSEDNRBEDNRA
SCHEMBL5631574 0.88 DHPS (0.48) DHPS
SCHEMBL5632236 0.84 DHPS (0.47) DHPSEDNRBEDNRA
SCHEMBL5632835 0.84 EDNRA (0.52) DHPSEDNRBEDNRA
Tetrahydrofuran SCHEMBL25230185 0.83 DHPS (0.55) DHPSEDNRBEDNRA
SCHEMBL6961913 0.82 EDNRA (0.62) DHPSEDNRBEDNRA
SCHEMBL5632783 0.82 DHPS (0.58) DHPS
SCHEMBL6964739 0.81 EDNRA (0.67) EDNRBEDNRA
SCHEMBL5654640 0.80 EDNRA (0.51) DHPSEDNRBEDNRA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP claimed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US claimed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed