SCHEMBL20028693

SCHEMBL20028693

CC(C)(C)OC(=O)N1CCCC(F)(c2nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3o2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.41
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
MTOR P42345 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PIK3CA P42336 1/20 0.36
GPR119 Q8TDV5 4/20 0.35
SCD5 Q86SK9 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL20028692 1.00 USP30 (0.41) USP30BACE1BACE2MTORPRMT5
SCHEMBL21167236 0.92 USP30 (0.34) USP30BACE1BACE2MTORPRMT5
SCHEMBL21145359 0.87 USP30 (0.39) USP30BACE1BACE2
SCHEMBL21145361 0.87 USP30 (0.39) USP30BACE1BACE2
SCHEMBL20028889 0.84 USP30 (0.47) USP30BACE1MTORPIK3CAGPR119
SCHEMBL20028690 0.84 USP30 (0.47) USP30BACE1MTORPIK3CAGPR119
SCHEMBL14158758 0.80 USP30 (0.49) USP30PIK3CAGPR119
SCHEMBL20028691 0.77 USP30 (0.50) USP30MTORPIK3CAGPR119SCD5
SCHEMBL28779045 0.77 USP30 (0.50) USP30MTORPIK3CAGPR119SCD5
SCHEMBL20028892 0.77 USP30 (0.66) USP30PIK3CAGPR119

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
CN-109790148-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-06-07 CN disclosed
WO-2018060691-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed