SCHEMBL29220577

SCHEMBL29220577

COC(=O)N1Cc2c(n[nH]c2C(=O)n2ccnc2)C[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.31
FASN P49327 1/20 0.30
TBXAS1 P24557 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
SCHEMBL29220578 1.00 MAPT (0.38) MAPTTSHRFASNTBXAS1
SCHEMBL30108430 0.90 MAPT (0.36) MAPT
SCHEMBL30108438 0.90 MAPT (0.36) MAPT
SCHEMBL30873189 0.88 MAPT (0.40) MAPT
SCHEMBL22718273 0.69 PARP1 (0.34)
SCHEMBL28699292 0.69 PARP1 (0.34)
SCHEMBL29829859 0.68 GAA (0.35)
SCHEMBL22718163 0.67 HCAR2 (0.33)
SCHEMBL22718165 0.67 HCAR2 (0.33)
SCHEMBL29071920 0.65 RAB9A (0.36) MAPT

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-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed