SCHEMBL9044916

SCHEMBL9044916

O=S(=O)(Nc1ncnc(OCCO)c1-c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.76
EDNRB P24530 9/20 0.76
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9046653 0.93 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9045018 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL9044584 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL9045132 0.86 EDNRA (0.98) EDNRAEDNRB
SCHEMBL9046446 0.86 EDNRA (0.84) EDNRAEDNRB
SCHEMBL9493637 0.85 EDNRA (0.79) EDNRAEDNRB
SCHEMBL9493305 0.84 MCL1 (0.53) EDNRAEDNRBMCL1ALDH1A1LMNA
SCHEMBL9044922 0.83 EDNRA (0.74) EDNRAEDNRB
SCHEMBL9046193 0.83 EDNRA (0.74) EDNRAEDNRB
SCHEMBL9044911 0.83 EDNRA (0.76) 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
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed