SCHEMBL29909500

SCHEMBL29909500

NNc1nc(N2CCCCc3c(Br)cccc32)c2c(F)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.43
KDM4E B2RXH2 1/20 0.33
BCHE P06276 4/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31

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
SCHEMBL24813174 0.97 ACHE (0.41) ACHEKDM4E
SCHEMBL24815233 0.90 ACHE (0.34) ACHE
SCHEMBL30047978 0.87 ACHE (0.33) ACHE
SCHEMBL24813570 0.87 ACHE (0.33) ACHE
SCHEMBL29909109 0.86 ACHE (0.34) ACHEKDM4E
SCHEMBL23576881 0.86 ACHE (0.34) ACHEKDM4E
SCHEMBL29909599 0.84 ACHE (0.43) ACHEKDM4EBCHEGRIN1GRIN2A
SCHEMBL23576812 0.84 ACHE (0.43) ACHEKDM4EBCHEGRIN1GRIN2A
SCHEMBL24813179 0.81 ACHE (0.41) ACHEKDM4EBCHEGRIN1GRIN2A
SCHEMBL23577188 0.78 BCHE (0.40) ACHEBCHEGRIN1GRIN2A

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-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed