SCHEMBL7014774

SCHEMBL7014774

COc1ccc(Cl)c(Oc2c(COC[C@H](O)CO)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.53
EDNRB P24530 3/20 0.51

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
SCHEMBL7008565 1.00 EDNRA (0.53) EDNRAEDNRB
SCHEMBL9407242 0.93 EDNRA (0.54) EDNRAEDNRB
SCHEMBL9407241 0.93 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7006879 0.89 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7007652 0.88 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7009259 0.88 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7006386 0.88 EDNRA (0.57) EDNRAEDNRB
SCHEMBL9156305 0.85 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7009278 0.85 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7006902 0.84 EDNRA (0.70) 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-0601386-B1 Sulphonamides HOFFMANN LA ROCHE (CH) 2003-02-05 EP claimed