SCHEMBL6468561

SCHEMBL6468561

CCOc1cc(N(c2ccc(C(=O)NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C(O)c2cccnc2)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 3/20 0.40
NAMPT P43490 4/20 0.39
PTGS2 P35354 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SMPD1 P17405 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 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
SCHEMBL2931338 0.85 GAA (0.44) GAALMNAPKMKMT2ANAMPT
SCHEMBL4190316 0.85 NAMPT (0.44) GAALMNAPKMKMT2ANAMPT
SCHEMBL4202489 0.77 GAA (0.49) GAAPKMKMT2ANAMPTPTGS2
SCHEMBL6469174 0.77 PTGS2 (0.52) LMNAKMT2ANAMPTPTGS2SMN1; SMN2
SCHEMBL6532215 0.77 PDE4D (0.43) PTGS2
SCHEMBL6527184 0.76 PTGS2 (0.42) GAALMNAPTGS2ALDH1A1SMN1; SMN2
SCHEMBL4202149 0.74 NAMPT (0.46) GAALMNAKMT2ANAMPTALDH1A1
SCHEMBL6532108 0.73 PDE4D (0.42) LMNA
SCHEMBL4200530 0.72 BRD4 (0.43) GAANAMPTALDH1A1SMPD1KDM4E
SCHEMBL6528413 0.72 PIK3CA (0.42) ALDH1A1SMN1; SMN2

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