SCHEMBL28517495

SCHEMBL28517495

COc1cc(C(N)=O)cc([N+](=O)[O-])c1NCCCOC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PKM P14618 1/20 0.39
HCAR3 P49019 1/20 0.38
RAB9A P51151 2/20 0.38
PTGER4 P35408 1/20 0.38
PRSS1 P07477 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28510943 0.97 MAPT (0.46) MAPTGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL28509702 0.89 ALDH1A1 (0.43) MAPTGAAALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL28542838 0.85 MAPT (0.47) MAPTGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL29200491 0.85 LMNA (0.47) MAPTGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL19437401 0.85 MAPT (0.51) MAPTGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL19436434 0.84 MAPT (0.49) MAPTGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL19436435 0.84 MAPT (0.49) MAPTGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL28508495 0.82 PTGER4 (0.40) GAASMN1; SMN2ALDH1A1L3MBTL1PTGER4
SCHEMBL28419831 0.81 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1TDP1RAB9A
SCHEMBL28419832 0.81 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1TDP1RAB9A

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