SCHEMBL18975313

SCHEMBL18975313

COC(=O)CNCCN(CCNCOC(C)=O)COC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL28201602 0.78 GAA (0.48) MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL27865304 0.76 GAA (0.46) MGAMGAASIMGAM2
SCHEMBL9660199 0.73 TET2 (0.36) TOP2AMGAMGAASIMGAM2
SCHEMBL21184226 0.71 PAOX (0.43) TOP2A
SCHEMBL21173246 0.71 ALDH1A1 (0.40) MGAMGAASIMGAM2
SCHEMBL17011260 0.70 TOP2A (0.34) TOP2AMGAMGAASIMGAM2
SCHEMBL29359770 0.69 TOP2A (0.34) TOP2AMGAMGAASIMGAM2
SCHEMBL15865613 0.68 GAA (0.50) MGAMGAASIMGAM2
SCHEMBL8535988 0.68 TDP1 (0.43) TOP2A
SCHEMBL2361759 0.68 TSHR (0.50) MGAMGAASIMGAM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386953-B1 CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2020-10-21 EP disclosed
WO-2017098038-A1 CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2017-06-15 WO disclosed