Spermine

Spermine

SCHEMBL27775510

C1NN1.NCCCNCCCCNCCCN

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.77
▸ CA6 P23280 5/20 0.77
▸ CA7 P43166 5/20 0.77
▸ CA9 Q16790 5/20 0.77
▸ CA14 Q9ULX7 5/20 0.77
▸ CA5B Q9Y2D0 5/20 0.77
▸ CA2 P00918 4/20 0.77
▸ CA4 P22748 4/20 0.77
▸ CA5A P35218 4/20 0.77
▸ ALOX15 P16050 3/20 0.77
▸ F13A1 P00488 2/20 0.77
▸ CYP1A2 P05177 2/20 0.77
▸ THPO P40225 2/20 0.77
▸ CASP2 P42575 2/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ RECQL P46063 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ CYP2C19 P33261 1/20 0.77
▸ HSD17B10 Q99714 1/20 0.77
▸ CA3 P07451 3/20 0.72

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 SCHEMBL30446193 0.87 CA12 (1.00) CA12CA6CA7CA9CA14
Spermine SCHEMBL14965 0.87 CA12 (1.00) CA12CA6CA7CA9CA14
Spermine SCHEMBL288720 0.87 CA12 (1.00) CA12CA6CA7CA9CA14
Spermine SCHEMBL8514287 0.87 CA12 (1.00) CA12CA6CA7CA9CA14
Spermine SCHEMBL5375346 0.86 CA12 (0.72) CA12CA6CA7CA9CA14
SCHEMBL3175232 0.84 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL4288395 0.84 CA12 (0.93) CA12CA6CA7CA9CA14
Spermine SCHEMBL348194 0.84 UBE2N (1.00) CA12CA6CA7CA9CA14
SCHEMBL8092274 0.84 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL14739092 0.84 CA12 (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302877-A Quinazolinyl compounds and methods of use 基因泰克公司 2022-04-08 — — CN disclosed
CN-113508115-A Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases 基因泰克公司 2021-10-15 — — CN disclosed
CN-112689528-A Pyrimidinyl-heteroaryloxy-naphthyl compounds and methods of use 基因泰克公司 2021-04-20 — — CN disclosed
CN-106795151-A Protein kinase C inhibitors and methods of their use 诺华股份有限公司 2017-05-31 — — CN disclosed
CN-103189378-B As the Pyrazolopyridine ketone derivatives of LPA receptor antagonist MERCK PATENT GMBH (DE) 2016-03-02 — — CN disclosed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 — — CN disclosed
CN-103189378-A Pyrazolopyridinone derivatives as LPA receptor antagonists MERCK PATENT GMBH 2013-07-03 — — CN disclosed
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 — — CN disclosed
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