SCHEMBL28508495

SCHEMBL28508495

COc1cc(C(N)=O)cc(N)c1NCCCOC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
BPTF Q12830 1/20 0.38
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 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
SCHEMBL28515135 0.96 ALDH1A1 (0.38) PTGER4ALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL28906815 0.88 PTGER4 (0.45) PTGER4ALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL29200564 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTTSHRAPOBEC3A
SCHEMBL19437435 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTTSHRAPOBEC3A
SCHEMBL19437440 0.82 MEN1 (0.43) ALDH1A1SMN1; SMN2HTTTSHRAPOBEC3A
SCHEMBL28517495 0.82 MAPT (0.46) PTGER4ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL28510943 0.79 MAPT (0.46) PTGER4ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL22288356 0.78 MAPK1 (0.39) ALDH1A1SMN1; SMN2HTTTSHRAPOBEC3A
SCHEMBL28751992 0.78 MAPK1 (0.39) ALDH1A1SMN1; SMN2HTTTSHRAPOBEC3A
SCHEMBL22135029 0.78 STING1 (0.44) KMT2AMEN1GAA

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-112279835-B Aromatic ring or aromatic heterocyclic imidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
CN-112279835-A Aromatic ring or aromatic heterocyclic imidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2021-01-29 CN disclosed