SCHEMBL6473294

SCHEMBL6473294

Fc1ccc(COc2ccncc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
GSK3B P49841 2/20 0.52
BACE1 P56817 2/20 0.52
GRM5 P41594 2/20 0.51
MAPK14 Q16539 2/20 0.49
F10 P00742 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
HTR6 P50406 1/20 0.45
ALKBH1 Q13686 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PPARA Q07869 1/20 0.43

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
SCHEMBL13450401 0.82 MAOB (0.60) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL14329911 0.81 MAOB (0.49) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL7024898 0.81 MAOB (0.68) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL4886506 0.80 MAOB (0.58) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL4339666 0.79 MAOB (0.61) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL3216377 0.79 MAOB (0.57) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL28366212 0.79 MAOB (0.60) MAOBIDO1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL5514364 0.77 MAOB (0.62) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL4380683 0.77 MAOB (0.55) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL5511238 0.77 MAOB (0.58) MAOBIDO1AGXTGSK3BBACE1

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed