SCHEMBL28984974

SCHEMBL28984974

COc1cccc2nc3c(c(N)c12)C(=O)CCC3

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.66
▸ KDM4E B2RXH2 2/20 0.51
▸ DCPS Q96C86 1/20 0.50
▸ GRIN1 Q05586 7/20 0.46
▸ GRIN2A Q12879 7/20 0.46
▸ BCHE P06276 5/20 0.46
▸ ELANE P08246 2/20 0.44
▸ GRIN2B Q13224 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL28984981 0.81 KDM4E (0.53) ACHEKDM4EGRIN1GRIN2ABCHE
SCHEMBL10871024 0.81 KDM4E (0.50) ACHEKDM4EGRIN1GRIN2ABCHE
SCHEMBL9039832 0.80 ACHE (1.00) ACHEKDM4EGRIN1GRIN2ABCHE
SCHEMBL7283298 0.77 ACHE (0.56) ACHEKDM4EDCPSELANEALDH1A1
SCHEMBL10653394 0.75 ACHE (0.64) ACHEKDM4EDCPSGRIN1GRIN2A
SCHEMBL4495989 0.75 KDM4E (0.82) ACHEKDM4EGRIN1GRIN2ABCHE
Hydrochloric Acid SCHEMBL8984092 0.73 KDM4E (0.80) ACHEKDM4EGRIN1GRIN2ABCHE
SCHEMBL10848798 0.73 ACHE (0.67) ACHEKDM4EGRIN1GRIN2ABCHE
SCHEMBL8785150 0.73 ACHE (0.64) ACHEKDM4EGRIN1GRIN2ABCHE
SCHEMBL10653196 0.71 ACHE (0.70) ACHEKDM4EDCPSGRIN1GRIN2A

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-115947686-B 9-Amino-3, 4-dihydro-acridine-1 (2H) -ketone compound and application thereof 浙江工业大学 2024-11-12 — — CN disclosed
CN-115947686-A 9-amino-3, 4-dihydroacridine-1 (2H) -ketone compound and application thereof 浙江工业大学 2023-04-11 — — CN disclosed
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