SCHEMBL28309802

SCHEMBL28309802

CC(O)n1cc(C(N)=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.49
LMNA P02545 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
MAP4K4 O95819 1/20 0.35
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL659349 0.87 ACHE (0.64) ACHELMNAMKNK1MKNK2ADORA2A
SCHEMBL25819849 0.85 ACHE (0.49) ACHELMNAMKNK1MKNK2ADORA2A
SCHEMBL12862846 0.84 ACHE (0.47) ACHELMNAMKNK1MKNK2ADORA2A
SCHEMBL22399206 0.81 ACHE (0.68) ACHELMNAMKNK1MKNK2
SCHEMBL30961721 0.81 ACHE (0.51) ACHELMNAMKNK1MKNK2
SCHEMBL31612737 0.80 ACHE (0.44) ACHELMNAMKNK1MKNK2ADORA2A
SCHEMBL29175561 0.80 ACHE (0.54) ACHELMNAMKNK1MKNK2ADORA2A
SCHEMBL30686643 0.80 ACHE (0.54) ACHELMNAMKNK1MKNK2ADORA2A
SCHEMBL566139 0.79 ACHE (0.50) ACHELMNAMKNK1MKNK2MAP4K4
SCHEMBL6238381 0.79 ACHE (0.67) ACHELMNAMKNK1MKNK2MAPKAPK2

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-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN disclosed