SCHEMBL9053645

SCHEMBL9053645

COc1ccc(-c2c(NS(=O)(=O)c3cc(O)ccc3C)ncnc2OCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.55
EDNRB P24530 8/20 0.53
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9053721 0.91 EDNRA (0.65) EDNRAEDNRB
SCHEMBL9052684 0.84 EDNRA (0.68) EDNRAEDNRB
SCHEMBL9046557 0.83 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9045379 0.81 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9044771 0.79 EDNRA (0.82) EDNRAEDNRB
SCHEMBL9046585 0.78 EDNRA (0.68) EDNRAEDNRB
SCHEMBL9495260 0.78 EDNRA (0.68) EDNRAEDNRB
SCHEMBL9045519 0.77 EDNRA (0.66) EDNRAEDNRBALDH1A1
SCHEMBL9046504 0.77 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7324606 0.77 EDNRA (0.45) EDNRAEDNRBBRD4BRD2BRD3

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 4 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
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed