SCHEMBL24920308

SCHEMBL24920308

CC(C)(C)OC(=O)NCCCNC(=O)CCOCCOCCOCCOCCN

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 6/20 0.44
CA9 Q16790 6/20 0.44
CYP3A4 P08684 1/20 0.40
PLK1 P53350 2/20 0.40
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL26044735 0.94 TDP1 (0.48) TDP1MAOAMAOBCA1CA2
SCHEMBL24686270 0.94 TDP1 (0.43) TDP1MAOAMAOBCA1CA2
SCHEMBL16328105 0.93 TDP1 (0.44) TDP1MAOAMAOBCA1CA2
SCHEMBL26032853 0.93 TDP1 (0.42) TDP1MAOAMAOBCA1CA2
SCHEMBL26032381 0.93 TDP1 (0.42) TDP1MAOAMAOBCA1CA2
SCHEMBL26046033 0.92 TDP1 (0.46) TDP1MAOAMAOBCA1CA2
SCHEMBL26045685 0.92 TDP1 (0.46) TDP1MAOAMAOBCA1CA2
SCHEMBL25835268 0.92 TDP1 (0.43) TDP1MAOAMAOBCA1CA2
SCHEMBL24920230 0.89 TDP1 (0.39) TDP1MAOAMAOBCA1CA2
SCHEMBL24920231 0.89 TDP1 (0.39) TDP1MAOAMAOBCA1CA2

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-2023006782-A1 CONJUGATING REAGENTS AND CONJUGATES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-02-02 WO disclosed