SCHEMBL8325013

SCHEMBL8325013

COc1ccccc1Oc1c(Cl)nc(N2CCOCC2)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.43
EDNRA P25101 14/20 0.43
RORC P51449 1/20 0.41
EP300 Q09472 1/20 0.39
HIF1A Q16665 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 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
SCHEMBL27535738 0.88 EDNRB (0.41) EDNRBEDNRAEP300HIF1APIK3CA
SCHEMBL8326904 0.86 EDNRA (0.48) EDNRBEDNRA
SCHEMBL8322432 0.83 LMNA (0.41) EDNRARORC
SCHEMBL7013707 0.82 EDNRA (0.45) EDNRARORCPIK3CAMTOR
SCHEMBL7292782 0.81 EDNRA (0.40) EDNRARORC
SCHEMBL7013473 0.81 EDNRA (0.44) EDNRARORCPIK3CAMTOR
SCHEMBL7012433 0.81 EDNRA (0.47) EDNRBEDNRARORCPIK3CAMTOR
SCHEMBL7326664 0.81 DHPS (0.42) EDNRARORC
SCHEMBL7009897 0.80 EDNRA (0.43) EDNRARORCEP300HIF1APIK3CA
SCHEMBL7296309 0.80 EDNRA (0.39) EDNRBEDNRA

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