SCHEMBL6972015

SCHEMBL6972015

COc1ccccc1Oc1c(Cl)nc(-c2cc[n+]([O-])cc2)nc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 3/20 0.53
EDNRA P25101 17/20 0.52
EDNRB P24530 4/20 0.50

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
SCHEMBL6969386 0.94 EDNRA (0.53) DHPSEDNRAEDNRB
SCHEMBL6972208 0.93 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL6957003 0.91 EDNRA (0.47) DHPSEDNRAEDNRB
SCHEMBL6961198 0.90 EDNRA (0.47) DHPSEDNRAEDNRB
SCHEMBL6959001 0.90 EDNRA (0.62) DHPSEDNRAEDNRB
SCHEMBL5499789 0.89 EDNRA (0.63) DHPSEDNRAEDNRB
SCHEMBL5035301 0.89 EDNRA (0.66) EDNRAEDNRB
SCHEMBL6972565 0.88 EDNRA (0.47) DHPSEDNRAEDNRB
SCHEMBL6961032 0.85 MAPT (0.44) DHPSEDNRAEDNRB
SCHEMBL16900663 0.85 EDNRA (0.70) 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 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