SCHEMBL29124353

SCHEMBL29124353

COc1cnc(NC2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.51
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PIK3CA P42336 2/20 0.45
USP30 Q70CQ3 4/20 0.44
BTK Q06187 1/20 0.44
NSD2 O96028 1/20 0.43
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
ADORA1 P30542 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
STS P08842 1/20 0.41
DYRK1A Q13627 1/20 0.40

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
SCHEMBL29124351 1.00 PIK3CD (0.51) PIK3CDHSD11B1ALDH1A1PIK3CAUSP30
SCHEMBL31171029 1.00 PIK3CD (0.51) PIK3CDHSD11B1ALDH1A1PIK3CAUSP30
SCHEMBL29124441 0.89 HSD11B1 (0.51) PIK3CDHSD11B1PIK3CAUSP30BTK
SCHEMBL31170926 0.89 HSD11B1 (0.51) PIK3CDHSD11B1PIK3CAUSP30BTK
SCHEMBL29124443 0.89 HSD11B1 (0.51) PIK3CDHSD11B1PIK3CAUSP30BTK
SCHEMBL2636954 0.88 HSD11B1 (0.63) PIK3CDHSD11B1ALDH1A1PIK3CAUSP30
SCHEMBL2636953 0.88 HSD11B1 (0.63) PIK3CDHSD11B1ALDH1A1PIK3CAUSP30
SCHEMBL23236317 0.87 HSD11B1 (0.51) PIK3CDHSD11B1ALDH1A1PIK3CAPIK3CB
SCHEMBL23236319 0.87 HSD11B1 (0.51) PIK3CDHSD11B1ALDH1A1PIK3CAPIK3CB
SCHEMBL31170927 0.86 HSD11B1 (0.49) PIK3CDHSD11B1PIK3CAUSP30BTK

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-112689637-B Imidazopyridone compounds 橘生药品工业株式会社 2023-11-10 CN disclosed
CN-112689637-A Imidazopyridinone compounds 橘生药品工业株式会社 2021-04-20 CN disclosed