SCHEMBL4377263

SCHEMBL4377263

CCOc1c(O)cncc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
FPR2 P25090 3/20 0.31
PDE4D Q08499 1/20 0.31
TSHR P16473 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL4374787 0.78 TDP1 (0.38) MAPTCA12CA1CA9
SCHEMBL25306691 0.77 AOC3 (0.36) AOC3GAAKDM4EALDH1A1CYP11B1
SCHEMBL30527763 0.77 AOC3 (0.36) AOC3GAAKDM4EALDH1A1CYP11B1
SCHEMBL4369345 0.76 AOC3 (0.43) AOC3EGFRLCKFPR2PDE4D
SCHEMBL21823462 0.74 CA3 (0.35) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL1618282 0.71 L3MBTL1 (0.42) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL4376694 0.70 ALDH1A1 (0.34) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL31250383 0.68 CHRNB2 (0.37) FPR2
SCHEMBL25306413 0.68 CHRNB2 (0.37) FPR2
SCHEMBL15086906 0.67 TAAR1 (0.40) GAAKDM4EALDH1A1GLAMAPT

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
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed