SCHEMBL8324860

SCHEMBL8324860

COc1ccccc1Oc1c(OCCNC(=O)Nc2ccccn2)nc(C)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.60
EDNRB P24530 14/20 0.60
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8322002 0.81 EDNRA (0.46) EDNRAEDNRBMEN1KMT2A
SCHEMBL8326459 0.80 EDNRB (0.41) EDNRAEDNRBMEN1KMT2A
SCHEMBL7330283 0.77 DHPS (0.46) EDNRAEDNRB
SCHEMBL7329858 0.76 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7327165 0.76 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8322432 0.75 LMNA (0.41) EDNRAMEN1POLBKMT2A
SCHEMBL8322960 0.75 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7330749 0.74 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7333240 0.74 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7696685 0.72 EDNRA (0.57) 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 4 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 claimed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP claimed
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