SCHEMBL22339403

SCHEMBL22339403

Cc1cc(B2OC(C)(C)C(C)(C)O2)cn(I)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.34
LIPG Q9Y5X9 9/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
FFAR1 O14842 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
F11 P03951 2/20 0.32
CSF1R P07333 1/20 0.32
ROCK1 Q13464 1/20 0.31
F2 P00734 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
SCHEMBL14719271 0.82 BRD4 (0.40) LPLLIPGIDO1TDO2FFAR1
SCHEMBL19484578 0.78 LIPG (0.37) LPLLIPGIDO1TDO2FFAR1
SCHEMBL16650743 0.78 LPL (0.33) LPLLIPGIDO1TDO2FFAR1
SCHEMBL22325994 0.74 BRD4 (0.37) LPLLIPGIDO1TDO2CA1
SCHEMBL22339446 0.73 LPL (0.43) LPLLIPGFFAR1CA1CA2
SCHEMBL16651182 0.73 BRD4 (0.37) LPLLIPGFFAR1F11
SCHEMBL29948355 0.72 CA1 (0.34) LPLLIPGIDO1TDO2FFAR1
SCHEMBL29848701 0.72 BRD4 (0.34) LPLLIPGIDO1TDO2FFAR1
SCHEMBL16651646 0.71 CA1 (0.36) LPLLIPGIDO1TDO2FFAR1
SCHEMBL16171748 0.69 LPL (0.44) LPLLIPGFFAR1CA1CA2

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed