SCHEMBL5778575

SCHEMBL5778575

CC(C)C1=NCCc2ccc(/C=C/c3cc(-c4ccoc4)c4cc(C#N)ccc4c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.38
PLG P00747 4/20 0.38
PLAT P00750 4/20 0.38
KLK1 P06870 3/20 0.38
PELI1 Q96FA3 1/20 0.34
F2 P00734 1/20 0.32
KLKB1 P03952 1/20 0.32
PRSS1 P07477 1/20 0.32
LRRK2 Q5S007 2/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL5778577 1.00 PLAU (0.38) PLAUPLGPLATKLK1PELI1
SCHEMBL5776515 0.84 PLAU (0.35) PLAUPLGPLATKLK1F2
SCHEMBL5776516 0.84 PLAU (0.35) PLAUPLGPLATKLK1F2
SCHEMBL5773928 0.84 PLAU (0.35) PLAUPLGPLATKLK1F2
SCHEMBL5773926 0.84 PLAU (0.35) PLAUPLGPLATKLK1F2
SCHEMBL5777317 0.83 PLAU (0.41) PLAUPLGPLATKLK1F2
SCHEMBL5777320 0.83 PLAU (0.41) PLAUPLGPLATKLK1F2
SCHEMBL5778430 0.83 PLAU (0.50) PLAUPLGPLATKLK1F2
SCHEMBL5776672 0.79 LRRK2 (0.33) PLAUPLGPLATKLK1F2
SCHEMBL5776670 0.79 LRRK2 (0.33) PLAUPLGPLATKLK1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed