SCHEMBL7945990

SCHEMBL7945990

O=C(O)c1cc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
PDE4B Q07343 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
PDK1 Q15118 9/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NR3C2 P08235 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
SCHEMBL4190983 0.89 DHODH (0.43) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3131461 0.87 PDE4A (0.47) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3131861 0.85 PDK1 (0.43) PDE4BPDK1
SCHEMBL1159028 0.85 GRM2 (0.44) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3132313 0.85 DHODH (0.40) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3132322 0.85 DHODH (0.40) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3132226 0.84 PDE4B (0.43) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3128750 0.84 PDE4B (0.43) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL1157700 0.84 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DNR3C2
SCHEMBL3126203 0.84 NAPRT (0.46) DHODHPDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed