SCHEMBL7204674

SCHEMBL7204674

NCCC(=O)NCCCCNC(=O)CCN

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A5 Q9Y345 2/20 0.49
NAAA Q02083 1/20 0.48
PAOX Q6QHF9 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 3/20 0.45
KDM4A O75164 1/20 0.45
HIF1A Q16665 1/20 0.45
TET2 Q6N021 1/20 0.45
DOHH Q9BU89 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7211184 0.95 PAOX (0.56) CASP2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12829898 0.95 CASP2 (0.46) CASP2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5493471 0.92 SLC6A5 (0.47) CASP2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13788598 0.89 PRMT1 (0.57) MEN1KMT2AALDH1A1SLC6A5TSHR
SCHEMBL7700850 0.89 CASP2 (0.70) CASP2MEN1KMT2ASLC6A5NAAA
SCHEMBL9497865 0.88 NAAA (0.48) CASP2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24412649 0.87 CASP2 (0.74) CASP2SLC6A5NAAAHPGD
SCHEMBL17817620 0.87 CASP2 (0.74) CASP2SLC6A5NAAAHPGD
SCHEMBL20663420 0.87 PRMT1 (0.61) MEN1KMT2AALDH1A1SLC6A5TSHR
SCHEMBL11739321 0.87 CASP2 (0.74) CASP2SLC6A5NAAAHPGD

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