SCHEMBL7295229

SCHEMBL7295229

COc1ccccc1Oc1c(OCC2COC(C)(C)O2)nc(C)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.37
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
EDNRB P24530 1/20 0.34

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
SCHEMBL7293090 0.88 EDNRA (0.37) EDNRAEDNRB
SCHEMBL7304769 0.88 EDNRA (0.37) EDNRAEDNRB
SCHEMBL7302716 0.83 MAPK14 (0.35) LMNAHTTGAA
SCHEMBL8322002 0.80 EDNRA (0.46) EDNRALMNAHTTGAAEDNRB
SCHEMBL8322432 0.77 LMNA (0.41) EDNRALMNAHTTGAA
SCHEMBL7387930 0.76 EDNRA (0.38) EDNRAEDNRB
SCHEMBL7301959 0.76 EDNRA (0.38) EDNRAEDNRB
SCHEMBL7330283 0.74 DHPS (0.46) EDNRALMNAHTTEDNRB
SCHEMBL7295217 0.73 EDNRA (0.66) EDNRAEDNRB
SCHEMBL9423670 0.73 EDNRA (0.66) 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