SCHEMBL28809235

SCHEMBL28809235

CC(C)(C)c1nn(C2CCN(C(=O)O)CC2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.33
LRRK2 Q5S007 2/20 0.30
BTK Q06187 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL22900831 0.79 USP30 (0.43) USP30
SCHEMBL370869 0.76 FFAR1 (0.36) FFAR1
SCHEMBL2385523 0.75 USP30 (0.45) USP30
SCHEMBL21292370 0.74 USP30 (0.44) USP30
SCHEMBL22532979 0.74 USP30 (0.49) USP30
SCHEMBL320321 0.74 FFAR1 (0.42) USP30FFAR1
SCHEMBL28927851 0.74 USP30 (0.44) USP30
SCHEMBL23242959 0.72 USP30 (0.35) USP30FFAR1
SCHEMBL1358121 0.71 DRD2 (0.35) USP30
SCHEMBL31081734 0.71

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
CN-114867718-A Novel indazole derivative and use thereof 韩国化学研究院 2022-08-05 CN disclosed