SCHEMBL28885703

SCHEMBL28885703

Clc1c2c(nc3ccc(Br)cc13)CCCCC2

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.72
BCHE P06276 11/20 0.72
GRIN1 Q05586 11/20 0.72
GRIN2A Q12879 11/20 0.72
MAPT P10636 1/20 0.67
RXFP1 Q9HBX9 1/20 0.55
SLC2A1 P11166 1/20 0.51

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
SCHEMBL30023055 1.00 ACHE (0.72) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL29023217 0.98 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL30356238 0.98 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL29023229 0.95 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL29023219 0.86 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL18065461 0.84 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
Hydrochloric Acid SCHEMBL29817717 0.84 ACHE (1.00) ACHEBCHEGRIN1GRIN2ASLC2A1
SCHEMBL30397413 0.83 ACHE (1.00) ACHEBCHEGRIN1GRIN2ASLC2A1
SCHEMBL28998722 0.83 ACHE (1.00) ACHEBCHEGRIN1GRIN2ASLC2A1
SCHEMBL2126156 0.83 ACHE (0.74) ACHEBCHEGRIN1GRIN2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124511-B Tacrine derivatives, preparation method thereof and application of tacrine derivatives as CDK2/9 inhibitor 中国人民解放军北部战区总医院 2023-09-26 CN disclosed
CN-115160298-B Tacrine-sulfonamide derivative and preparation method and application thereof 中国人民解放军北部战区总医院 2023-05-23 CN disclosed
CN-115160298-A Tacrine-sulfonamide derivative and preparation method and application thereof 中国人民解放军北部战区总医院 2022-10-11 CN disclosed