SCHEMBL24920306

SCHEMBL24920306

CC(C)(C)OC(=O)NCCCNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA12 O43570 6/20 0.40
CA9 Q16790 6/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PLK1 P53350 2/20 0.37
CYP3A4 P08684 1/20 0.36
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
CAPN1 P07384 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
SCHEMBL29427451 0.95 TDP1 (0.38) TDP1MEN1GAAKMT2ACA1
SCHEMBL29427520 0.95 TDP1 (0.38) TDP1MEN1GAAKMT2ACA1
SCHEMBL20904569 0.95 TDP1 (0.38) TDP1MEN1GAAKMT2ACA1
SCHEMBL24401395 0.95 TDP1 (0.38) TDP1MEN1GAAKMT2ACA1
SCHEMBL19451205 0.94 PLK1 (0.38) TDP1MEN1GAAKMT2ACA1
SCHEMBL20904591 0.94 PLK1 (0.38) TDP1MEN1GAAKMT2ACA1
SCHEMBL25835927 0.93 TDP1 (0.38) TDP1MEN1GAAKMT2ACA1
SCHEMBL29010363 0.92 TDP1 (0.37) TDP1MEN1GAAKMT2ACA1
SCHEMBL24920229 0.91 TDP1 (0.36) TDP1MEN1GAAKMT2ACA1
SCHEMBL24920234 0.91 TDP1 (0.36) TDP1MEN1GAAKMT2ACA1

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