SCHEMBL20904591

SCHEMBL20904591

CC(C)(C)OC(=O)NCCOCCNC(=O)CCOCCOCCN=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CRBN Q96SW2 1/20 0.35
BCHE P06276 1/20 0.34
CNR2 P34972 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
IDO1 P14902 1/20 0.34
ADRB2 P07550 2/20 0.34
HTR1A P08908 2/20 0.34
ADORA1 P30542 1/20 0.34
CYP3A4 P08684 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
SCHEMBL19451205 1.00 PLK1 (0.38) PLK1TDP1MEN1GAAKMT2A
SCHEMBL25835927 0.99 TDP1 (0.38) PLK1TDP1MEN1GAAKMT2A
SCHEMBL29427520 0.96 TDP1 (0.38) PLK1TDP1MEN1GAAKMT2A
SCHEMBL20904569 0.96 TDP1 (0.38) PLK1TDP1MEN1GAAKMT2A
SCHEMBL29427451 0.96 TDP1 (0.38) PLK1TDP1MEN1GAAKMT2A
SCHEMBL24401395 0.96 TDP1 (0.38) PLK1TDP1MEN1GAAKMT2A
SCHEMBL24920306 0.94 TDP1 (0.43) PLK1TDP1MEN1GAAKMT2A
SCHEMBL24297334 0.92 PLK1 (0.34) PLK1TDP1MEN1GAAKMT2A
SCHEMBL21071149 0.92 TDP1 (0.43) TDP1MEN1GAAKMT2ACA1
SCHEMBL13759224 0.92 TDP1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11181521-B2 Intra-droplet surface engineering to capture a molecular target UNIVERSITE DE STRASBOURG (FR) 2021-11-23 US disclosed
EP-3736572-A1 INTRA-DROPLET SURFACE ENGINEERING TO CAPTURE A MOLECULAR TARGET Université de Strasbourg (FR) 2020-11-11 EP disclosed
EP-3440463-B1 INTRA-DROPLET SURFACE ENGINEERING TO CAPTURE A MOLECULAR TARGET UNIV STRASBOURG (FR) 2020-07-08 EP disclosed
US-20190113509-A1 INTRA-DROPLET SURFACE ENGINEERING TO CAPTURE A MOLECULAR TARGET CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-04-18 US disclosed