SCHEMBL5407124

SCHEMBL5407124

COc1cc(N(Cc2cccnc2)c2cccc(Cl)c2)ccc1CC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
GRM2 Q14416 1/20 0.40
MAPK1 P28482 1/20 0.39
PTGER2 P43116 1/20 0.39
PDE4B Q07343 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
NR1D1 P20393 1/20 0.38
NR1H3 Q13133 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 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
SCHEMBL2909456 0.81 PDK1 (0.44) GRM2MAPK1GRM5PDK1PDK2
SCHEMBL1157430 0.81 MAPK1 (0.46) LMNAMAPK1PTGER2PDE4BPDE4A
SCHEMBL2903452 0.80 PDK1 (0.45) MAPK1PDE4BALDH1A1PKMPDK1
SCHEMBL2908802 0.80 MKNK1 (0.53) MAPK1PDE4BPDE4APDE4CPDE4D
SCHEMBL1157440 0.79 MAPK1 (0.43) LMNAGRM2MAPK1PTGER2PDE4B
SCHEMBL2904970 0.78 MKNK1 (0.45) MAPK1PDE4BPDE4APDE4CPDE4D
SCHEMBL2910673 0.78 CYP1A2 (0.45) MAPK1PDE4BALDH1A1PKMPDK1
SCHEMBL1157376 0.78 PDE4B (0.43) LMNAGRM2MAPK1PTGER2PDE4B
SCHEMBL1157600 0.77 PDE4B (0.45) LMNAMAPK1PTGER2PDE4BPDE4A
SCHEMBL1157318 0.77 PDE4A (0.57) GRM2PDE4BPDE4APDE4CPDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007513957-A 2007-05-31 JP claimed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP claimed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO claimed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO disclosed