SCHEMBL29023219

SCHEMBL29023219

Clc1c2c(nc3cc(Br)ccc13)CCCC2

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.73
BCHE P06276 8/20 0.60
GRIN1 Q05586 6/20 0.60
GRIN2A Q12879 6/20 0.60
MAPT P10636 4/20 0.56
CHRM1 P11229 1/20 0.54
EPHX2 P34913 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL30356238 0.88 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL29023217 0.88 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL28885703 0.86 ACHE (0.72) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL30023055 0.86 ACHE (0.72) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL29023229 0.84 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL28998061 0.84 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL4266767 0.84 ACHE (0.74) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL13885355 0.78 ACHE (0.75) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL9254247 0.78 MAPT (0.52) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL18705826 0.78 MAPT (0.53) ACHEBCHEMAPTCHRM1EPHX2

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-114853672-B Tacrine derivatives as CDKs inhibitors and uses thereof 中国人民解放军北部战区总医院 2023-06-23 CN disclosed
CN-114853672-A Tacrine derivatives as CDKs inhibitors and application thereof 中国人民解放军北部战区总医院 2022-08-05 CN disclosed