SCHEMBL7303684

SCHEMBL7303684

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.48
EDNRB P24530 6/20 0.48
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP3A4 P08684 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7303677 0.93 EDNRA (0.48) EDNRAEDNRBALDH1A1GAAHPGD
SCHEMBL9423499 0.84 CYP3A4 (0.42) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL9495260 0.81 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7302650 0.80 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7304221 0.76 ALDH1A1 (0.41) EDNRAEDNRBMAPTALDH1A1GAA
SCHEMBL9044922 0.73 EDNRA (0.74) EDNRAEDNRB
SCHEMBL9052684 0.73 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7303398 0.73 PKM (0.51) KDM4EALDH1A1HPGDCYP3A4PPARG
SCHEMBL9423450 0.71 EDNRA (0.60) EDNRAEDNRBKDM4ESMN1; SMN2
SCHEMBL9046585 0.71 EDNRA (0.68) EDNRAEDNRBPKM

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 3 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
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed