SCHEMBL6526541

SCHEMBL6526541

O=C(Nc1ccc(OC(F)F)c(O[C@@H]2CCOC2)c1)c1cnccc1C(=O)NS(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.43
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
GRM4 Q14833 3/20 0.40
RORC P51449 1/20 0.39
MAPT P10636 1/20 0.38
EGFR P00533 3/20 0.38
ITK Q08881 2/20 0.38
ATR Q13535 1/20 0.37
PTGES O14684 1/20 0.37
SCN9A Q15858 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL6532637 0.80 PIK3CA (0.47) GRM4
SCHEMBL6526545 0.77 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CGRM4
SCHEMBL6532215 0.77 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CGRM4
SCHEMBL2925598 0.74 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CGRM4
SCHEMBL2925618 0.69 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL2926129 0.67 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CGRM4
SCHEMBL6070039 0.66 GRM4 (0.38) PDE4DPDE4APDE4BPDE4CGRM4
SCHEMBL2930478 0.65 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1157276 0.65 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL21947547 0.65 MAPT (0.60) MAPTHTR2B

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 claimed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO claimed