SCHEMBL19209890

SCHEMBL19209890

NCCNCCNCCN[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
CA12 O43570 3/20 0.39
CA6 P23280 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
CA1 P00915 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GGT1 P19440 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL19412149 1.00 LMNA (0.39) LMNACA12CA6CA7CA9
SCHEMBL1234231 1.00 LMNA (0.39) LMNACA12CA6CA7CA9
Hydrochloric Acid SCHEMBL9905495 0.98 KDM4E (0.41) LMNACA12CA6CA7CA9
SCHEMBL27902177 0.89 GGT1 (0.46) LMNACA2CA4GGT1GABRR1
SCHEMBL30436578 0.87 GGT1 (0.46) LMNACA12CA6CA7CA9
SCHEMBL30437177 0.87 GGT1 (0.46) LMNACA12CA6CA7CA9
SCHEMBL7860275 0.87 GGT1 (0.46) LMNACA12CA6CA7CA9
SCHEMBL30370036 0.87 GGT1 (0.46) LMNACA12CA6CA7CA9
SCHEMBL30437179 0.87 GGT1 (0.46) LMNACA12CA6CA7CA9
SCHEMBL9905502 0.87 CA12 (0.41) LMNACA12CA6CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017173205-A1 MAGNETIC NANOPARTICLE-POLYMER COMPLEXES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-10-05 WO disclosed
WO-2017173034-A1 BIOLOGICAL AGENT-EXOSOME COMPOSITIONS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-10-05 WO disclosed
WO-2017136376-A1 POLYELECTROLYTE COMPLEXES FOR DELIVERY OF AGENTS TO THE CNS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-08-10 WO disclosed