SCHEMBL9044922

SCHEMBL9044922

O=S(=O)(Nc1ncnc(OCCO)c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.74
EDNRB P24530 11/20 0.74
CCR4 P51679 1/20 0.47

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
SCHEMBL9046193 0.89 EDNRA (0.74) EDNRAEDNRBCCR4
SCHEMBL9046653 0.89 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9044669 0.84 EDNRA (0.84) EDNRAEDNRBCCR4
SCHEMBL9044916 0.83 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9043994 0.82 EDNRA (0.80) EDNRAEDNRB
SCHEMBL9044114 0.82 EDNRA (0.47) EDNRAEDNRBCCR4
SCHEMBL9046379 0.82 EDNRA (0.91) EDNRAEDNRB
SCHEMBL9046485 0.81 EDNRA (0.70) EDNRAEDNRB
SCHEMBL9044949 0.81 EDNRA (0.89) EDNRAEDNRB
SCHEMBL9043529 0.81 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