Spermine

Spermine

SCHEMBL8658186

NCCCNCCCCNCCCN.NCCCNCCCNCCCN.NCCCNCCNCCCN.NCCNCCCNCCN

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.81
CA6 P23280 5/20 0.81
CA7 P43166 5/20 0.81
CA9 Q16790 5/20 0.81
CA14 Q9ULX7 5/20 0.81
CA5B Q9Y2D0 5/20 0.81
CA2 P00918 4/20 0.81
CA4 P22748 4/20 0.81
CA5A P35218 4/20 0.81
ALOX15 P16050 3/20 0.81
CASP2 P42575 2/20 0.81
F13A1 P00488 2/20 0.81
CYP1A2 P05177 2/20 0.81
THPO P40225 2/20 0.81
MEN1 O00255 2/20 0.81
RECQL P46063 2/20 0.81
KMT2A Q03164 2/20 0.81
CYP2C19 P33261 1/20 0.81
HSD17B10 Q99714 1/20 0.81
CA3 P07451 3/20 0.77

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
SCHEMBL19257489 0.97 CASP2 (0.87) CA12CA6CA7CA9CA14
Spermine SCHEMBL4275609 0.97 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL11365907 0.97 CASP2 (0.87) CA12CA6CA7CA9CA14
SCHEMBL31129279 0.97 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL3164546 0.94 CA12 (0.88) CA12CA6CA7CA9CA14
Thermine SCHEMBL8837088 0.94 CASP2 (0.93) CA12CA6CA7CA9CA14
Trientine SCHEMBL8736113 0.94 CASP2 (0.93) CA12CA6CA7CA9CA14
SCHEMBL9718728 0.94 CASP2 (0.93) CA12CA6CA7CA9CA14
SCHEMBL3159000 0.94 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL15226686 0.94 CASP2 (0.93) CA12CA6CA7CA9CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859797-A1 PHOTOINITIATOR Coates Brothers PLC (GB) 1998-08-26 EP disclosed
WO-1997017378-A9 PHOTOINITIATOR 1997-10-30 WO disclosed
WO-1997017378-A1 PHOTOINITIATOR COATES BROTHERS PLC (GB) 1997-05-15 WO disclosed