SCHEMBL6526545

SCHEMBL6526545

O=C(NS(=O)(=O)c1ccc(F)c(F)c1)N(c1ccc(OC(F)F)c(O[C@@H]2CCOC2)c1)C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.41
PDE4B Q07343 8/20 0.40
PDE4A P27815 7/20 0.40
PDE4C Q08493 7/20 0.40
RORC P51449 1/20 0.35
GRM4 Q14833 1/20 0.34
EGFR P00533 2/20 0.32
ITK Q08881 1/20 0.32
ATR Q13535 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6532215 0.89 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CRORC
SCHEMBL2925598 0.78 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CGRM4
SCHEMBL6526541 0.77 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CRORC
SCHEMBL6532820 0.76 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL2925618 0.75 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CEGFR
SCHEMBL6527184 0.74 PTGS2 (0.42) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL6532108 0.71 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL2932654 0.71 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL2932000 0.71 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL6070039 0.71 GRM4 (0.38) PDE4DPDE4BPDE4APDE4CGRM4

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