SCHEMBL7303677

SCHEMBL7303677

Cc1ccc(C)c(S(=O)(=O)Nc2ncnc(OCCO)c2Oc2c(Cl)cc(Cl)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.48
EDNRB P24530 6/20 0.48
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7303684 0.93 EDNRA (0.48) EDNRAEDNRBALDH1A1GAAHPGD
SCHEMBL7304221 0.84 ALDH1A1 (0.41) EDNRAEDNRBALDH1A1GAATSHR
SCHEMBL9052684 0.81 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7302650 0.80 EDNRA (0.58) EDNRAEDNRB
SCHEMBL9423499 0.76 CYP3A4 (0.42) ALDH1A1GAAMEN1HPGDKMT2A
SCHEMBL9053721 0.75 EDNRA (0.65) EDNRAEDNRB
SCHEMBL9495260 0.73 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7303398 0.73 PKM (0.51) ALDH1A1TSHRMEN1HPGDKMT2A
SCHEMBL9423450 0.71 EDNRA (0.60) EDNRAEDNRBTSHR
SCHEMBL9046585 0.71 EDNRA (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP claimed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US claimed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed