SCHEMBL30338024

SCHEMBL30338024

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.54
TLR8 Q9NR97 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
RGS12 O14924 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL6238381 0.88 ACHE (0.67) ACHEL3MBTL1JAK2JAK1MKNK1
SCHEMBL22399206 0.77 ACHE (0.68) ACHEL3MBTL1JAK2JAK1MKNK1
SCHEMBL22393858 0.75 L3MBTL1 (0.49) ACHEL3MBTL1MEN1KMT2A
SCHEMBL19159430 0.75 ACHE (0.40) ACHEJAK2JAK1
SCHEMBL24853044 0.74 ACHE (0.54) ACHETLR8L3MBTL1
SCHEMBL22326800 0.74 ACHE (0.46) ACHETLR8L3MBTL1MKNK1MKNK2
SCHEMBL6233599 0.73 ACHE (0.63) ACHEMEN1KMT2A
SCHEMBL29399366 0.72 ACHE (0.54) ACHEL3MBTL1JAK2JAK1MKNK1
SCHEMBL28309802 0.72 ACHE (0.49) ACHEMKNK1MKNK2
SCHEMBL25819849 0.72 ACHE (0.49) ACHEMKNK1MKNK2

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-115916341-A Pyrazole carboxamide compounds for the treatment of HBV 组装生物科学股份有限公司 2023-04-04 CN disclosed