SCHEMBL29045207

SCHEMBL29045207

O=C(O)c1nccn1C1COC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.35
LMNA P02545 1/20 0.31
TGFBR1 P36897 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
HTR3A P46098 1/20 0.30

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
SCHEMBL28411151 0.84 LMNA (0.38) HPSELMNAPDE4BPDE4D
SCHEMBL28416472 0.81 LMNA (0.45) HPSELMNAPDE4BPDE4D
SCHEMBL25601807 0.81 LMNA (0.42) HPSELMNAPDE4BPDE4D
SCHEMBL28415816 0.79 HPSE (0.35) HPSELMNA
SCHEMBL30554017 0.77 ADORA2B (0.41) LMNAOGFRL1
SCHEMBL4342320 0.67
SCHEMBL8611205 0.67 LMNA (0.42) LMNAPDE4BPDE4D
SCHEMBL31132654 0.66 KDM4E (0.33) TGFBR1
SCHEMBL2364931 0.66 LMNA (0.41) LMNATGFBR1PDE4BPDE4D
SCHEMBL27510365 0.65

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-111187218-B Application of 1-substituted-1H-imidazole-2-carboxylic acid compound in preparation of metal beta-lactamase inhibitor 四川大学 2023-08-04 CN disclosed
CN-111253317-B 1-substituted-1H-imidazole-2-carboxylic acid compound 四川大学 2023-08-04 CN disclosed