SCHEMBL9720822

SCHEMBL9720822

C[C@H]([C@H](C)N1CC(=O)N(C)C(=O)C1)N1CC(=O)N(C)C(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.52
TOP2B Q02880 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PIK3CD O00329 1/20 0.33
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL23660653 0.85 PIK3CD (0.46) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL14959575 0.84 SMN1; SMN2 (0.37) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL23660724 0.81 TOP2A (0.36) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9720746 0.73 PTGS1 (0.56) TOP2ATOP2BTDP1PIK3CD
SCHEMBL9720744 0.73 PTGS1 (0.56) TOP2ATOP2BTDP1PIK3CD
SCHEMBL9720830 0.73 PTGS1 (0.56) TOP2ATOP2BTDP1PIK3CD
SCHEMBL9034496 0.72 TOP2A (0.45) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL84388 0.71 GSK3A (0.35) GSK3AGSK3B
Icrf-193 SCHEMBL729019 0.68 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL14006976 0.68 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1

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
WO-1992000740-A2 BIS-DIOXOPIPERAZINES AND THEIR USE AS PROTECTION AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-01-23 WO disclosed