SCHEMBL5360673

SCHEMBL5360673

NCCCCNCCCN(CCCN)CCCN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA6 P23280 4/20 0.62
CA7 P43166 4/20 0.62
CA9 Q16790 4/20 0.62
CA14 Q9ULX7 4/20 0.62
CA5B Q9Y2D0 4/20 0.62
CA2 P00918 3/20 0.62
CA4 P22748 3/20 0.62
CA5A P35218 3/20 0.62
ALOX15 P16050 3/20 0.62
F13A1 P00488 2/20 0.62
CYP1A2 P05177 2/20 0.62
THPO P40225 2/20 0.62
CA3 P07451 2/20 0.62
TSHR P16473 2/20 0.62
CA1 P00915 1/20 0.62
CYP2C9 P11712 1/20 0.62
PKM P14618 1/20 0.62
MTOR P42345 1/20 0.62
LMNA P02545 1/20 0.59

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
SCHEMBL21434318 0.95 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL7991030 0.95 TDP1 (0.58) CA12CA6CA7CA9CA14
SCHEMBL16360723 0.93 ALOX15 (0.55) CA12CA6CA7CA9CA14
SCHEMBL29225286 0.93 ALOX15 (0.59) CA12CA6CA7CA9CA14
SCHEMBL832891 0.92 TDP1 (0.62) CA12CA6CA7CA9CA14
SCHEMBL12827888 0.92 TDP1 (0.56) CA12CA6CA7CA9CA14
SCHEMBL13336449 0.90 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL12520087 0.88 TDP1 (0.58) CA12CA6CA7CA9CA14
SCHEMBL30667454 0.88 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL19179134 0.88 TDP1 (0.58) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1342413-A1 Plant protection formulation containing a copper-polyamine chelate BMS Micro-Nutrients N.V. (BE) 2003-09-10 EP claimed
US-6172261-B1 BIOSYNTHESIS USING CHAIN EXTENSION ORIDIGM CORPORATION 2001-01-09 US claimed
EP-1001927-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2000-05-24 EP claimed
WO-1999003823-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 1999-01-28 WO claimed
EP-1867633-A1 Polyamine analogues as therapeutic and diagnostic agents MediQuest Therapeutics, Inc. (US) 2007-12-19 EP disclosed
US-7208528-B1 Polyamine analogues as therapeutic and diagnostic agents MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-24 US disclosed
US-7160923-B1 Polyamine analogues as therapeutic and diagnostic agents MEDIQUEST THERAPEUTICS, INC. (US) 2007-01-09 US disclosed
EP-1296931-B1 POLYAMINE ANALOGUES AS CYTOTOXIC AGENTS MEDIQUEST THERAPEUTICS INC (US) 2006-05-31 EP disclosed
EP-1342413-B1 Plant protection formulation containing a copper-polyamine chelate BMS MICRO NUTRIENTS N V (BE) 2005-08-24 EP disclosed
US-6872852-B2 Polyamine analogues as cytotoxic agents MEDIQUEST THERAPEUTICS, INC. (US) 2005-03-29 US disclosed
US-6646149-B1 Derivitives of spermine or its N12-t-butyl carbamate VERMEULIN NICOLAAS M J (US) 2003-11-11 US disclosed
EP-1342413-A1 Plant protection formulation containing a copper-polyamine chelate BMS Micro-Nutrients N.V. (BE) 2003-09-10 EP disclosed
US-20030045755-A1 Polyamine analogues as cytotoxic agents MEDIQUEST THERAPEUTICS, INC. 2003-03-06 US disclosed
WO-2001072685-A9 POLYAMINE ANALOGUES AS CYTOTOXIC AGENTS ORIDIGM CORP (US) 2002-10-10 WO disclosed
WO-2001092218-A2 POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2001-12-06 WO disclosed
EP-1085011-A1 Novel polyamine analogues as therapeutic and diagnostic agents ORIDIGM CORPORATION (US) 2001-03-21 EP disclosed
US-6172261-B1 BIOSYNTHESIS USING CHAIN EXTENSION ORIDIGM CORPORATION 2001-01-09 US disclosed
EP-1001927-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999003823-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 1999-01-28 WO disclosed
EP-0162413-A2 Polyamine for use as a medicine in the treatment of neoplasms MERRELL DOW PHARMACEUTICALS INC. (US) 1985-11-27 EP disclosed