SCHEMBL7851089

SCHEMBL7851089

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(SC)nc1OCCOC(=O)Nc1ccccn1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.82
EDNRB P24530 19/20 0.82

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
SCHEMBL7852570 0.90 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7851883 0.86 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7842298 0.86 EDNRA (0.65) EDNRAEDNRB
SCHEMBL5999010 0.85 EDNRB (1.00) EDNRAEDNRB
SCHEMBL8043625 0.85 EDNRB (0.76) EDNRAEDNRB
SCHEMBL7841206 0.84 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7569665 0.83 EDNRA (0.73) EDNRAEDNRB
SCHEMBL9092371 0.83 EDNRB (0.83) EDNRAEDNRB
SCHEMBL6790797 0.82 EDNRA (0.90) EDNRAEDNRB
SCHEMBL6968227 0.82 EDNRA (0.76) 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-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed