SCHEMBL7204433

SCHEMBL7204433

NCCCC(=O)C(N)(CNCCN)C(=O)CCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
THRB P10828 2/20 0.38
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
HDAC3 O15379 1/20 0.38
GABBR2 O75899 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRR2 P28476 1/20 0.38
SLC6A1 P30531 1/20 0.38

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 0.92 HDAC6 (0.50) HDAC6LMNAKMT2ACYP1A2THRB
SCHEMBL7209111 0.87 HDAC6 (0.57) HDAC6LMNAKMT2ACYP1A2THRB
SCHEMBL7206092 0.83 HDAC6 (0.49) HDAC6LMNAKMT2ACYP1A2THRB
SCHEMBL7202891 0.71 HDAC6 (0.60) HDAC6LMNAKMT2ACYP1A2THRB
SCHEMBL7694329 0.71 HDAC6 (0.60) HDAC6LMNAKMT2ACYP1A2THRB
SCHEMBL7205788 0.71 HDAC6 (0.60) HDAC6LMNAKMT2ACYP1A2THRB
SCHEMBL10926165 0.68 ODC1 (0.50) HDAC6LMNAKMT2ACYP1A2THRB
SCHEMBL7207371 0.67 TDP1 (0.38) HDAC6LMNAKMT2APAOXCA12
SCHEMBL8939222 0.65 PAOX (0.37) HDAC6LMNAKMT2APAOXCA12
SCHEMBL10110819 0.64 CYP1A2 (0.48) HDAC6LMNAKMT2ACYP1A2THRB

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