SCHEMBL29909729

SCHEMBL29909729

CN(c1cccc(C#CC(C)(C)S(C)(=O)=O)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL29909941 0.89 ABCG2 (0.31)
SCHEMBL29909527 0.86 ABCG2 (0.31)
SCHEMBL29909226 0.86 EGFR (0.31)
SCHEMBL29909728 0.85 ABCG2 (0.31)
SCHEMBL30960981 0.82 GRM5 (0.32)
SCHEMBL23601649 0.80 PTGDR2 (0.35) PTGDR2
SCHEMBL29909667 0.79
SCHEMBL23577432 0.79
SCHEMBL23600987 0.79 PTGES (0.36)
SCHEMBL31169429 0.79 PTGES (0.36)

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