SCHEMBL6973000

SCHEMBL6973000

COc1ccccc1Oc1c(OCCOCc2ccccc2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.43
EDNRB P24530 6/20 0.43
DHPS P49366 13/20 0.43

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
SCHEMBL5654640 0.91 EDNRA (0.51) EDNRAEDNRBDHPS
SCHEMBL6973006 0.90 DHPS (0.50) EDNRAEDNRBDHPS
SCHEMBL5631564 0.89 EDNRB (0.43) EDNRAEDNRBDHPS
SCHEMBL5632224 0.85 EDNRB (0.42) EDNRAEDNRBDHPS
SCHEMBL5632829 0.85 EDNRA (0.51) EDNRAEDNRB
SCHEMBL5632776 0.82 DHPS (0.43) EDNRAEDNRBDHPS
SCHEMBL5654649 0.82 DHPS (0.62) EDNRAEDNRBDHPS
SCHEMBL6961913 0.80 EDNRA (0.62) EDNRAEDNRBDHPS
SCHEMBL6964739 0.80 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6972287 0.79 DHPS (0.42) EDNRAEDNRBDHPS

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 6 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-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP 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