SCHEMBL28984969

SCHEMBL28984969

Nc1c2c(nc3c(Br)cccc13)CCCC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ ACHE P22303 7/20 0.43
▸ GRIN1 Q05586 4/20 0.41
▸ GRIN2A Q12879 4/20 0.41
▸ BCHE P06276 5/20 0.40
▸ CHRNE Q04844 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ BACE1 P56817 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8781758 0.80 KDM4E (0.50) KDM4EACHEBCHECHRNEHSD17B10
SCHEMBL10871024 0.80 KDM4E (0.50) KDM4EACHEGRIN1GRIN2ABCHE
SCHEMBL28984981 0.78 KDM4E (0.53) KDM4EACHEGRIN1GRIN2ABCHE
SCHEMBL4495989 0.77 KDM4E (0.82) KDM4EACHEGRIN1GRIN2ABCHE
SCHEMBL30411626 0.77 ACHE (0.70) KDM4EACHEGRIN1GRIN2ABCHE
Hydrochloric Acid SCHEMBL8984092 0.75 KDM4E (0.80) KDM4EACHEGRIN1GRIN2ABCHE
SCHEMBL2655216 0.73 HRH4 (0.42) KDM4EACHECHRNEHSD17B10ALDH1A1
SCHEMBL28984980 0.72 ACHE (0.66) KDM4EACHEGRIN1GRIN2ABCHE
SCHEMBL28984972 0.72 ACHE (0.62) KDM4EACHEGRIN1GRIN2ABCHE
SCHEMBL2660900 0.71 PARP1 (0.38) KDM4EACHEALDH1A1HPGDGAA

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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