SCHEMBL28411151

SCHEMBL28411151

O=C(O)c1nccn1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HPSE Q9Y251 1/20 0.38
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOTUM Q6P988 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
PDE4B Q07343 2/20 0.31
PDE4D Q08499 1/20 0.31
HCAR3 P49019 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31

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
SCHEMBL28416472 0.93 LMNA (0.45) LMNAHPSEHSD17B10GAAKDM4E
SCHEMBL25601807 0.93 LMNA (0.42) LMNAHPSEHSD17B10GAAKDM4E
SCHEMBL28415816 0.84 HPSE (0.35) LMNAHPSE
SCHEMBL29045207 0.84 HPSE (0.35) LMNAHPSEPDE4BPDE4D
SCHEMBL8611205 0.78 LMNA (0.42) LMNAHSD17B10GAATP53THRB
SCHEMBL2364931 0.77 LMNA (0.41) LMNAHSD17B10GAATP53THRB
SCHEMBL27700737 0.75 LMNA (0.40) LMNAHSD17B10GAATP53THRB
SCHEMBL23214501 0.75 GRK6 (0.41) HSD17B10KDM4E
SCHEMBL4342320 0.71
SCHEMBL30554033 0.70 ALDH1A1 (0.40) LMNAHSD17B10GAAKDM4E

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 4 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
CN-111253317-A 1-substituted-1H-imidazole-2-carboxylic acid compound 四川大学 2020-06-09 CN disclosed
CN-111187218-A Application of 1-substituted-1H-imidazole-2-carboxylic acid compounds in preparation of metal β -lactamase inhibitor 四川大学 2020-05-22 CN disclosed