SCHEMBL31192569

SCHEMBL31192569

CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(F)cc2[N+](=O)[O-])C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.42
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR174 Q9BXC1 2/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
IDO1 P14902 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL31192615 1.00 USP30 (0.42) USP30BRD4ALDH1A1MAPTMAPK1
SCHEMBL29504358 1.00 USP30 (0.42) USP30BRD4ALDH1A1MAPTMAPK1
SCHEMBL29504228 1.00 USP30 (0.42) USP30BRD4ALDH1A1MAPTMAPK1
SCHEMBL29504337 0.94 USP30 (0.43) USP30ALDH1A1MAPTMAPK1GPR174
SCHEMBL28706693 0.94 USP30 (0.43) USP30ALDH1A1MAPTMAPK1GPR174
SCHEMBL28706695 0.94 USP30 (0.43) USP30ALDH1A1MAPTMAPK1GPR174
SCHEMBL31192611 0.94 USP30 (0.43) USP30ALDH1A1MAPTMAPK1GPR174
SCHEMBL29504296 0.94 USP30 (0.43) USP30ALDH1A1MAPTMAPK1GPR174
SCHEMBL4648329 0.94 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL28695865 0.92 USP30 (0.42) USP30ALDH1A1MAPTMAPK1GPR174

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-113924296-B 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社 钟根堂 2024-09-17 CN disclosed