SCHEMBL8326604

SCHEMBL8326604

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(OCCBr)cc2)ncnc1OCCOC(=O)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.64
EDNRB P24530 18/20 0.64

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
SCHEMBL8327468 0.93 EDNRA (0.65) EDNRAEDNRB
SCHEMBL9281278 0.93 EDNRA (0.65) EDNRAEDNRB
SCHEMBL8327310 0.93 EDNRA (0.64) EDNRAEDNRB
SCHEMBL8324392 0.91 EDNRA (0.62) EDNRAEDNRB
SCHEMBL8327835 0.86 EDNRA (0.65) EDNRAEDNRB
SCHEMBL8326006 0.84 EDNRA (0.75) EDNRAEDNRB
SCHEMBL8329196 0.84 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8326488 0.84 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8326167 0.83 EDNRA (0.69) EDNRAEDNRB
SCHEMBL8324879 0.83 EDNRA (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP claimed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed