SCHEMBL15538519

SCHEMBL15538519

CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
LIPG Q9Y5X9 6/20 0.43
LPL P06858 5/20 0.43
ROCK1 Q13464 1/20 0.43
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
P4HB P07237 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
EGFR P00533 1/20 0.36
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 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
SCHEMBL12069299 0.89 ROCK1 (0.46) ARLIPGLPLROCK1BACE1
SCHEMBL15539398 0.85 ROCK1 (0.43) LIPGLPLROCK1BACE1BACE2
SCHEMBL2031833 0.84 F11 (0.39) LIPGLPLROCK1F11F2
SCHEMBL1721526 0.84 LIPG (0.46) LIPGLPLROCK1BACE1BACE2
SCHEMBL26334393 0.84 LIPG (0.46) LIPGLPLROCK1BACE1BACE2
SCHEMBL24274793 0.82 LIPG (0.45) LIPGLPLROCK1BACE1BACE2
SCHEMBL15995371 0.82 F11 (0.46) LIPGLPLROCK1BACE1BACE2
SCHEMBL30416445 0.82 F11 (0.46) LIPGLPLROCK1BACE1BACE2
SCHEMBL3491328 0.82 F11 (0.40) LIPGLPLROCK1F11F2
SCHEMBL29897650 0.81 HSP90AA1 (0.43) LIPGLPLROCK1F11F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013185284-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-12-19 WO disclosed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO disclosed