SCHEMBL9846833

SCHEMBL9846833

COCC(C(C)N1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.60
TOP2B Q02880 3/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PTGS1 P23219 2/20 0.46
LMNA P02545 1/20 0.46
CRBN Q96SW2 1/20 0.31

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
SCHEMBL727291 0.80 TOP2A (0.67) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL27318121 0.77 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL729019 0.77 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL438498 0.77 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL14006976 0.77 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL14006912 0.68 TOP2A (0.65) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL728997 0.68 TOP2A (0.73) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL13857354 0.68 TOP2A (0.73) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL18618027 0.67 TOP2A (0.76) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL20158971 0.66 TOP2A (0.66) 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
EP-0409499-A2 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1991-01-23 EP disclosed