SCHEMBL7085325

SCHEMBL7085325

C#COc1nc(-c2ccnc(-c3nnn[nH]3)c2)nc(NS(=O)(=O)c2ccc3c(c2)OCO3)c1Oc1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.53
EDNRB P24530 19/20 0.53

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
SCHEMBL7084361 0.91 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7948246 0.91 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7503704 0.90 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6965095 0.90 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7080997 0.89 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7085051 0.89 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7084494 0.89 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7080353 0.86 EDNRA (0.53) EDNRAEDNRB
SCHEMBL6967820 0.85 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6966678 0.85 EDNRB (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP claimed