SCHEMBL20050719

SCHEMBL20050719

CC(C)(C)OC(=O)N/C=C(\C=N)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ AAK1 Q2M2I8 2/20 0.40
▸ P4HB P07237 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ LIPG Q9Y5X9 2/20 0.35
▸ LPL P06858 1/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ USP30 Q70CQ3 2/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL16397840 0.80 AAK1 (0.46) PRMT5WDR77AAK1P4HBLIPG
SCHEMBL16113078 0.77 SLC7A5 (0.43) PRMT5WDR77AAK1P4HBLIPG
SCHEMBL29661903 0.77 SLC7A5 (0.43) PRMT5WDR77AAK1P4HBLIPG
SCHEMBL3321408 0.75 PRMT5 (0.49) PRMT5WDR77AAK1DGAT1SMN1; SMN2
SCHEMBL3800262 0.74 AAK1 (0.49) PRMT5WDR77AAK1MAPK10LIPG
SCHEMBL29539567 0.74 AAK1 (0.49) PRMT5WDR77AAK1MAPK10LIPG
SCHEMBL1300326 0.74 PRMT5 (0.47) PRMT5WDR77AAK1HIF1AHDAC3
SCHEMBL29895473 0.74 PRMT5 (0.47) PRMT5WDR77AAK1HIF1AHDAC3
SCHEMBL24213545 0.71 HDAC1 (0.42) AAK1MAPK10MAPTHDAC1HDAC6
SCHEMBL2592478 0.71 PRMT5 (0.57) PRMT5WDR77AAK1LIPGLPL

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
EP-3523291-B1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-04-14 — — EP disclosed
WO-2018065768-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-12 — — WO disclosed
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