SCHEMBL7204897

SCHEMBL7204897

NCCCCC(N)(C(=O)CN)C(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.40
ODC1 P11926 2/20 0.38
NFKB1 P19838 2/20 0.37
CYP2D6 P10635 1/20 0.37
BLM P54132 3/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC6A2 P23975 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL7694918 0.87 HDAC6 (0.49) LMNAKMT2AMEN1ALOX15RECQL
SCHEMBL7690006 0.82 HDAC6 (0.49) LMNAKMT2AMEN1ALOX15RECQL
SCHEMBL2115160 0.78 ODC1 (0.48) FDPSODC1NFKB1CYP2D6BLM
SCHEMBL7444135 0.77 LMNA (0.46) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL9617305 0.76 PAOX (0.44) FDPSODC1NFKB1CYP2D6BLM
SCHEMBL28869340 0.76 ODC1 (0.47) FDPSODC1NFKB1CYP2D6BLM
SCHEMBL449961 0.74 PAOX (0.48) FDPSODC1NFKB1CYP2D6BLM
SCHEMBL8749600 0.74 FAAH (0.48) FDPSKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL4278877 0.74 ODC1 (0.46) FDPSODC1NFKB1CYP2D6BLM
SCHEMBL7202891 0.73 HDAC6 (0.60) LMNATHRBKMT2AMEN1ALDH1A1

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-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-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-01-29 WO disclosed