SCHEMBL7209111

SCHEMBL7209111

NCCCCCNCC(N)(C(=O)CCCCCN)C(=O)CCCCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.57
PAOX Q6QHF9 4/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALOX15 P16050 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLG P00747 1/20 0.41
THRB P10828 1/20 0.41
SLC6A2 P23975 1/20 0.41
RECQL P46063 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.40
F13A1 P00488 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CA3 P07451 1/20 0.40

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
SCHEMBL7206074 0.95 HDAC6 (0.50) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL7206092 0.93 HDAC6 (0.49) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL7204433 0.87 HDAC6 (0.44) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL7694329 0.84 HDAC6 (0.60) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL7205788 0.84 HDAC6 (0.60) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL7202891 0.84 HDAC6 (0.60) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL6536854 0.72 MAOA (0.69) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL18342530 0.72 MAOA (0.69) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL7690006 0.71 HDAC6 (0.49) HDAC6PAOXMAOAMAOBALOX15
SCHEMBL7694918 0.71 HDAC6 (0.49) HDAC6PAOXMAOAMAOBALOX15

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
EP-0912584-B1 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2002-12-18 EP disclosed
EP-0912584-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-05-06 EP disclosed
WO-1998003519-A9 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS 1998-07-16 WO disclosed
WO-1998003519-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-01-29 WO disclosed