SCHEMBL9044967

SCHEMBL9044967

O=S(=O)(Nc1ncnc(OCCO)c1-c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.81
EDNRB P24530 5/20 0.81
FBP1 P09467 1/20 0.45

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
SCHEMBL9044457 0.90 EDNRA (0.74) EDNRAEDNRB
SCHEMBL9044584 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL9045018 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL9045132 0.87 EDNRA (0.98) EDNRAEDNRB
SCHEMBL9043529 0.87 EDNRA (0.89) EDNRAEDNRB
SCHEMBL9046041 0.87 EDNRA (0.89) EDNRAEDNRB
SCHEMBL9046379 0.86 EDNRA (0.91) EDNRAEDNRB
SCHEMBL9044397 0.85 EDNRA (0.82) EDNRAEDNRB
SCHEMBL9044786 0.85 EDNRA (0.89) EDNRAEDNRB
SCHEMBL9044949 0.85 EDNRA (0.89) 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 5 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
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed