SCHEMBL8328948

SCHEMBL8328948

COc1ccc(Cl)c(Cc2c(Cl)nc(N3CCOCC3)nc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PIK3CD O00329 5/20 0.48
PIK3CA P42336 5/20 0.48
PIK3CB P42338 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MAPK1 P28482 3/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL27323813 0.85 MAPT (0.46) MAPTL3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL8328877 0.81 EDNRA (0.63) MAPTPIK3CAMEN1KMT2AKDM4E
SCHEMBL7011083 0.74 MAPT (0.50) MAPTL3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL2375785 0.73 PIK3CA (0.58) MAPTL3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL12248550 0.73 MAPT (0.51) MAPTL3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL23537562 0.72 MAPT (0.58) MAPTL3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL4064654 0.72 L3MBTL1 (0.52) MAPTL3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL14147277 0.71 PIK3CD (0.50) MAPTL3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL2376492 0.71 PIK3CA (0.55) MAPTL3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL11862853 0.71 HTT (0.56) MEN1KMT2APDE4APDE4BPDE4C

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 3 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
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed