SCHEMBL7260647

SCHEMBL7260647

CC(C)(C)OC(=O)N1CCC(=Cc2cc([N+](=O)[O-])c(O)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
ESR2 Q92731 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.38
MET P08581 1/20 0.38
GPR174 Q9BXC1 2/20 0.37
GRM5 P41594 1/20 0.37
KCNH2 Q12809 1/20 0.36
DPP4 P27487 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35

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
SCHEMBL1869807 0.90 MAPT (0.45) MAPTALDH1A1LMNAESR2SMN1; SMN2
SCHEMBL7256007 0.88 MAPT (0.41) MAPTALDH1A1LMNAESR2SMN1; SMN2
SCHEMBL28465448 0.85 MAPT (0.45) MAPTALDH1A1LMNAESR2SMN1; SMN2
SCHEMBL1870418 0.83 MAPT (0.42) MAPTALDH1A1LMNAESR2SMN1; SMN2
SCHEMBL20971751 0.82 ALDH1A1 (0.54) MAPTALDH1A1LMNAESR2KMT2A
SCHEMBL29716002 0.81 CASP3 (0.51) MAPTALDH1A1LMNAESR2SMN1; SMN2
SCHEMBL26203186 0.81 CASP3 (0.51) MAPTALDH1A1LMNAESR2SMN1; SMN2
SCHEMBL1866955 0.81 MAPT (0.45) MAPTALDH1A1LMNAESR2SMN1; SMN2
SCHEMBL22556778 0.80 MAPT (0.43) MAPTALDH1A1LMNAESR2SMN1; SMN2
SCHEMBL2310306 0.79 ESR2 (0.56) MAPTALDH1A1LMNAESR2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003091248-A1 BENZOXAZINONE DERIVATIVE GLAXO GROUP LIMITED (GB) 2003-11-06 WO disclosed