SCHEMBL30594366

SCHEMBL30594366

CC(C)(C)OC(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.47
BTK Q06187 1/20 0.47
LMNA P02545 1/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
NOS2 P35228 1/20 0.45
MET P08581 1/20 0.45
USP30 Q70CQ3 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
NSD2 O96028 1/20 0.44

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
SCHEMBL2245357 1.00 GPR119 (0.51) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL28876430 0.94 BTK (0.50) GPR119ALDH1A1POLBBTKUSP30
SCHEMBL12126177 0.94 BTK (0.50) GPR119ALDH1A1POLBBTKUSP30
SCHEMBL31170913 0.94 BTK (0.50) GPR119ALDH1A1POLBBTKUSP30
SCHEMBL30085312 0.94 BTK (0.50) GPR119ALDH1A1POLBBTKUSP30
SCHEMBL29124390 0.94 BTK (0.50) GPR119ALDH1A1POLBBTKUSP30
SCHEMBL21811143 0.89 PRKCQ (0.44) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL31170936 0.89 PRKCQ (0.44) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL13506830 0.86 NOS2 (0.62) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL29241131 0.84 POLB (0.39) GPR119ALDH1A1MAPTNPC1MAPK1

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-112689637-B Imidazopyridone compounds 橘生药品工业株式会社 2023-11-10 CN disclosed