Spermine

Spermine

SCHEMBL5356572

NCC(N)=O.NCCCNCCCCNCCCN

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.65
F13A1 P00488 2/20 0.65
CA2 P00918 2/20 0.65
CYP1A2 P05177 2/20 0.65
ALOX15 P16050 2/20 0.65
CA4 P22748 2/20 0.65
CA6 P23280 2/20 0.65
CA5A P35218 2/20 0.65
THPO P40225 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA14 Q9ULX7 2/20 0.65
CA5B Q9Y2D0 2/20 0.65
CASP2 P42575 2/20 0.65
MEN1 O00255 1/20 0.65
CYP2C19 P33261 1/20 0.65
RECQL P46063 1/20 0.65
KMT2A Q03164 1/20 0.65
HSD17B10 Q99714 1/20 0.65
UBE2N P61088 1/20 0.62

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
Spermine SCHEMBL7750968 0.87 CA12 (0.68) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL12482806 0.86 CA12 (0.59) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL12482919 0.83 PAOX (0.55) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL6536558 0.83 MAOA (0.72) CA12F13A1CA2CYP1A2ALOX15
Spermidine SCHEMBL2076472 0.83 PAOX (0.67) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL30571402 0.83 PAOX (0.55) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL3227990 0.81 PAOX (0.53) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL6536854 0.81 MAOA (0.69) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL18342530 0.81 MAOA (0.69) CA12F13A1CA2CYP1A2ALOX15
Succinamide SCHEMBL6536724 0.81 MAOA (0.69) CA12F13A1CA2CYP1A2ALOX15

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
US-7208528-B1 Polyamine analogues as therapeutic and diagnostic agents MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-24 US disclosed
EP-1085011-A1 Novel polyamine analogues as therapeutic and diagnostic agents ORIDIGM CORPORATION (US) 2001-03-21 EP disclosed