SCHEMBL9045206

SCHEMBL9045206

COc1ccc(Cc2c(NS(=O)(=O)c3ccc(C(C)C)cc3)ncnc2OCCO)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.62
EDNRB P24530 5/20 0.49
PIK3CG P48736 1/20 0.44
ESR1 P03372 1/20 0.39

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
SCHEMBL9046624 0.89 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9047630 0.86 EDNRA (0.47) EDNRAEDNRBPIK3CG
SCHEMBL9045564 0.86 EDNRA (0.43) EDNRAEDNRBESR1
SCHEMBL9047114 0.84 EDNRA (0.82) EDNRAEDNRBPIK3CG
SCHEMBL9493332 0.83 EDNRA (0.77) EDNRAEDNRB
SCHEMBL9045073 0.81 EDNRA (0.62) EDNRAEDNRBESR1
SCHEMBL9045387 0.80 EDNRA (0.65) EDNRAEDNRB
SCHEMBL9046504 0.80 EDNRA (0.69) EDNRAEDNRB
SCHEMBL9044684 0.79 EDNRA (0.59) EDNRAEDNRB
SCHEMBL9045375 0.78 EDNRA (0.74) 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-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP claimed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP claimed