SCHEMBL7440264

SCHEMBL7440264

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2cc[nH]c(=O)c2)nc1OCCO

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.72
EDNRB P24530 15/20 0.72

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
SCHEMBL7435840 0.91 EDNRA (0.72) EDNRAEDNRB
SCHEMBL25637066 0.87 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7446457 0.87 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7889730 0.87 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7840722 0.86 EDNRA (0.79) EDNRAEDNRB
SCHEMBL6583028 0.85 EDNRA (0.72) EDNRAEDNRB
SCHEMBL30466189 0.85 EDNRA (0.72) EDNRAEDNRB
SCHEMBL24419951 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL5035030 0.85 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6584905 0.85 EDNRA (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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