SCHEMBL7080353

SCHEMBL7080353

C#COc1nc(-c2ccnc(-c3nnn[nH]3)c2)nc(NS(=O)(=O)c2cccnc2)c1Oc1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.53
EDNRB P24530 18/20 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
SCHEMBL7080997 0.94 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7084361 0.92 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7084494 0.90 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7085051 0.90 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7446946 0.90 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6960742 0.89 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7084660 0.87 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7085325 0.86 EDNRA (0.53) EDNRAEDNRB
SCHEMBL6960422 0.84 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7085774 0.83 EDNRA (0.50) 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