SCHEMBL7301959

SCHEMBL7301959

COc1ccccc1Oc1c(OC[C@H]2COCO2)nc(-c2cccs2)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.38
EDNRB P24530 4/20 0.36

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
SCHEMBL7387930 1.00 EDNRA (0.38) EDNRAEDNRB
SCHEMBL7328142 0.83 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7302671 0.81 EDNRA (0.43) EDNRAEDNRB
SCHEMBL7300166 0.80 DHPS (0.38) EDNRAEDNRB
SCHEMBL7304769 0.77 EDNRA (0.37) EDNRAEDNRB
SCHEMBL7295229 0.76 EDNRA (0.37) EDNRAEDNRB
SCHEMBL9425548 0.75 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7387928 0.75 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7301953 0.75 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7293090 0.74 EDNRA (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed