SCHEMBL22726571

SCHEMBL22726571

CC(C)(C)OC(=O)N1CCOCC1c1ccnc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ PIK3CA P42336 11/20 0.38
▸ PIK3R1 P27986 9/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ TMEM97 Q5BJF2 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ MTOR P42345 1/20 0.35

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
SCHEMBL29953613 1.00 UCHL1 (0.41) UCHL1MALT1PIK3CAPIK3R1ROCK2
SCHEMBL30855205 0.85 UCHL1 (0.41) UCHL1MALT1PIK3CAPIK3R1ROCK2
SCHEMBL29333868 0.85 UCHL1 (0.41) UCHL1MALT1PIK3CAPIK3R1ROCK2
SCHEMBL22726599 0.84 UCHL1 (0.52) UCHL1ROCK2
SCHEMBL29953798 0.84 UCHL1 (0.52) UCHL1ROCK2
SCHEMBL24707503 0.83 NR1H2 (0.41) UCHL1MALT1PIK3CAPIK3R1USP2
SCHEMBL30001333 0.83 NR1H2 (0.41) UCHL1MALT1PIK3CAPIK3R1USP2
SCHEMBL3398447 0.82 NR1H2 (0.45) MALT1USP2SMN1; SMN2PIK3CDNR1H2
SCHEMBL3398450 0.82 NR1H2 (0.45) MALT1USP2SMN1; SMN2PIK3CDNR1H2
SCHEMBL2386023 0.82 NR1H2 (0.43) MALT1PIK3CAPIK3R1USP2SMN1; SMN2

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-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 — — EP disclosed
WO-2020239658-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2020-12-03 — — WO disclosed
Send feedback