SCHEMBL6528413

SCHEMBL6528413

COc1ccc(N(c2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3F)cc2)C(O)c2cccnc2)cc1O[C@@H]1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.42
PIK3CD O00329 5/20 0.42
PIK3CB P42338 5/20 0.42
PIK3CG P48736 5/20 0.42
PIK3R1 P27986 3/20 0.42
MTOR P42345 3/20 0.42
PDE4D Q08499 10/20 0.40
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6532108 0.93 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL6527184 0.91 PTGS2 (0.42) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL6529700 0.88 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL2931748 0.87 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL6532215 0.82 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL2926103 0.81 PDE4D (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL2924650 0.78 PTGS2 (0.47) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL2925618 0.76 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL6532637 0.76 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL6469431 0.75 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C

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-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP disclosed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO disclosed