SCHEMBL6966569

SCHEMBL6966569

COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc[n+]([O-])cc3)nc(Cl)c2Oc2ccccc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHPS P49366 5/20 0.47
LMNA P02545 2/20 0.46
ALPL P05186 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EDNRA P25101 5/20 0.44
EDNRB P24530 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6972208 0.89 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL6957003 0.88 EDNRA (0.47) DHPSEDNRAEDNRBKMT2AMEN1
SCHEMBL6969386 0.86 EDNRA (0.53) DHPSEDNRAEDNRB
SCHEMBL6964772 0.85 EDNRA (0.63) DHPSEDNRAEDNRB
SCHEMBL6972015 0.84 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL6959001 0.83 EDNRA (0.62) DHPSEDNRAEDNRB
SCHEMBL6961198 0.82 EDNRA (0.47) DHPSEDNRAEDNRB
SCHEMBL6972565 0.81 EDNRA (0.47) DHPSLMNASMN1; SMN2EDNRAEDNRB
SCHEMBL5035301 0.80 EDNRA (0.66) EDNRAEDNRB
SCHEMBL6961032 0.80 MAPT (0.44) DHPSEDNRAEDNRBKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed