SCHEMBL28804351

SCHEMBL28804351

CC(C)(C)OC(=O)N1CCC2(CC1)OCC(C)(C)C2=N[S@@+]([O-])C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GPR119 Q8TDV5 8/20 0.35
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 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
SCHEMBL28804350 1.00 USP2 (0.39) USP2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL29715682 1.00 USP2 (0.39) USP2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL22799231 0.85 — —
SCHEMBL22799234 0.85 — —
SCHEMBL22799232 0.85 — —
SCHEMBL23826974 0.79 USP2 (0.42) USP2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL23826972 0.79 USP2 (0.42) USP2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL29482377 0.79 USP2 (0.42) USP2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL28624038 0.79 USP2 (0.42) USP2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL22814430 0.77 USP2 (0.46) USP2SMN1; SMN2MAPTALDH1A1LMNA

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-115448923-B Pyrimidine-fused ring compound, preparation method and application thereof 上海青煜医药科技有限公司 2024-03-22 — — CN disclosed
CN-110156786-B Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-06-03 — — CN disclosed
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