SCHEMBL8322002

SCHEMBL8322002

COc1ccccc1Oc1c(OCCN)nc(C)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.46
EDNRB P24530 4/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
DHPS P49366 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7330283 0.84 DHPS (0.46) EDNRAEDNRBLMNAHTTDHPS
SCHEMBL8322432 0.84 LMNA (0.41) EDNRAGAALMNAHTTDHPS
SCHEMBL8324860 0.81 EDNRA (0.60) EDNRAEDNRBMEN1KMT2A
SCHEMBL7330749 0.81 EDNRA (0.49) EDNRAEDNRBDHPS
SCHEMBL7333240 0.81 EDNRA (0.50) EDNRAEDNRBDHPS
SCHEMBL7329858 0.80 EDNRA (0.62) EDNRAEDNRBDHPS
SCHEMBL7295229 0.80 EDNRA (0.37) EDNRAEDNRBGAALMNAHTT
SCHEMBL7327055 0.79 EDNRA (0.48) EDNRAEDNRBDHPS
SCHEMBL7322839 0.79 EDNRA (0.42) EDNRAEDNRBGAADHPSMEN1
SCHEMBL7327165 0.78 EDNRA (0.53) 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-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed