SCHEMBL7868568

SCHEMBL7868568

COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.58
EDNRB P24530 11/20 0.58
DHPS P49366 5/20 0.47
ALDH1A1 P00352 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5499789 0.86 EDNRA (0.63) EDNRAEDNRBDHPS
SCHEMBL5632172 0.85 EDNRA (0.55) EDNRAEDNRBDHPS
SCHEMBL6780523 0.84 EDNRA (0.71) EDNRAEDNRBDHPS
SCHEMBL6786069 0.84 EDNRA (0.82) EDNRAEDNRB
SCHEMBL9423905 0.83 EDNRA (0.70) EDNRAEDNRBDHPS
SCHEMBL5633509 0.82 EDNRA (0.54) EDNRAEDNRBDHPS
SCHEMBL5208403 0.81 EDNRA (0.82) EDNRAEDNRB
SCHEMBL5631703 0.81 EDNRA (0.54) EDNRAEDNRBDHPS
SCHEMBL14380614 0.80 EDNRA (0.51) EDNRAEDNRBDHPS
SCHEMBL5632074 0.80 EDNRA (0.64) EDNRAEDNRBDHPS

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-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed