SCHEMBL31353079

SCHEMBL31353079

Cc1cc2c(cc1Br)[nH]c(=O)c1cncn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.36
GRIN3B O60391 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2A Q12879 7/20 0.36
GRIN2B Q13224 7/20 0.36
GRIN2C Q14957 7/20 0.36
GRIN3A Q8TCU5 7/20 0.36
GRIA1 P42261 4/20 0.36
GRIA2 P42262 4/20 0.36
GRIA3 P42263 4/20 0.36
GRIA4 P48058 4/20 0.36
TP53 P04637 1/20 0.35
GABRA5 P31644 4/20 0.34
GABRA1 P14867 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL29235288 0.94 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31026839 0.80 TP53 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29235228 0.80 GRIA1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7983698 0.80 TP53 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31026868 0.80 GRIA1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7982902 0.80 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31137380 0.77 GRIA1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29235466 0.77 TP53 (0.46) TP53GABRA5GABRA1LCK
SCHEMBL31353069 0.77 TP53 (0.60) TP53GABRA5GABRA1LCK
SCHEMBL7986801 0.75 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143752-A Aminoquinoline derivative, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-12-17 CN disclosed