SCHEMBL8326459

SCHEMBL8326459

COc1ccc(Cl)c(Oc2c(OCCNC(=O)Nc3ccccn3)ncnc2N(CC(C)C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.41
EDNRA P25101 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
KDR P35968 2/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL8326276 0.92 EDNRB (0.42) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL8323652 0.89 HPGD (0.47) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL8326870 0.89 LMNA (0.40) EDNRBEDNRAMEN1KMT2AKDR
SCHEMBL8321015 0.84 EDNRA (0.45) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL8326182 0.83 EDNRB (0.45) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL8324860 0.80 EDNRA (0.60) EDNRBEDNRAMEN1KMT2A
SCHEMBL7007654 0.78 MCL1 (0.40) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL7009283 0.78 EDNRB (0.40) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL8319167 0.77 EDNRA (0.66) EDNRBEDNRA
SCHEMBL7011111 0.77 EDNRB (0.39) EDNRBEDNRAMEN1KMT2AMAPT

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