SCHEMBL7388129

SCHEMBL7388129

COc1ccccc1Oc1c(OC[C@@H](O)CO)nc(-c2ccsc2)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.46
EDNRB P24530 3/20 0.46
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
DHPS P49366 3/20 0.39
AGTR1 P30556 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL7391386 1.00 EDNRA (0.46) EDNRAEDNRBGAALMNAHTT
SCHEMBL7331793 0.91 EDNRA (0.49) EDNRAEDNRBDHPS
SCHEMBL7304228 0.89 EDNRA (0.58) EDNRAEDNRBGAALMNAHTT
SCHEMBL7302671 0.88 EDNRA (0.43) EDNRAEDNRBGAALMNAHTT
SCHEMBL7303288 0.87 EDNRA (0.46) EDNRAEDNRBGAALMNAHTT
SCHEMBL7297143 0.83 DHPS (0.42) EDNRADHPS
SCHEMBL7304769 0.80 EDNRA (0.37) EDNRAEDNRB
SCHEMBL7329858 0.80 EDNRA (0.62) EDNRAEDNRBDHPS
SCHEMBL7328142 0.79 EDNRA (0.48) EDNRAEDNRBDHPS
SCHEMBL7328712 0.78 EDNRA (0.48) 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 1 patent. 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