SCHEMBL9045035

SCHEMBL9045035

O=S(=O)(Nc1ncnc(OCCO)c1Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.61
EDNRB P24530 6/20 0.61
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9044704 0.89 EDNRA (0.66) EDNRAEDNRBKMT2AGAA
SCHEMBL9045463 0.89 EDNRA (0.61) EDNRAEDNRB
SCHEMBL9044490 0.85 EDNRA (0.45) EDNRAEDNRBKMT2AMEN1TSHR
SCHEMBL9045435 0.84 EDNRA (0.60) EDNRAEDNRBKMT2AMEN1TSHR
SCHEMBL9045531 0.80 EDNRA (0.64) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL9045999 0.80 EDNRA (0.85) EDNRAEDNRB
SCHEMBL9052960 0.79 EDNRA (0.60) EDNRAEDNRBKMT2AMEN1TSHR
SCHEMBL9045073 0.79 EDNRA (0.62) EDNRAEDNRB
SCHEMBL9046616 0.77 EDNRA (0.59) EDNRAEDNRB
SCHEMBL9044684 0.77 EDNRA (0.59) 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