SCHEMBL5778397

SCHEMBL5778397

CC(C)C1=NCCc2cc(C=Cc3ccc4cc(C#N)ccc4c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.41
PLG P00747 3/20 0.35
PLAT P00750 3/20 0.35
KLK1 P06870 2/20 0.35
F2 P00734 1/20 0.34
KLKB1 P03952 1/20 0.34
PRSS1 P07477 1/20 0.34
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 4/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
CYP19A1 P11511 3/20 0.32
MIF P14174 1/20 0.32
HRH4 Q9H3N8 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL5778396 1.00 PLAU (0.41) PLAUPLGPLATKLK1F2
SCHEMBL5777317 0.91 PLAU (0.41) PLAUPLGPLATKLK1F2
SCHEMBL5777320 0.91 PLAU (0.41) PLAUPLGPLATKLK1F2
SCHEMBL5773994 0.80 PLAU (0.65) PLAUPLGPLATKLK1F2
SCHEMBL5776516 0.79 PLAU (0.35) PLAUPLGPLATKLK1F2
SCHEMBL5776515 0.79 PLAU (0.35) PLAUPLGPLATKLK1F2
SCHEMBL5773926 0.79 PLAU (0.35) PLAUPLGPLATKLK1F2
SCHEMBL5773928 0.79 PLAU (0.35) PLAUPLGPLATKLK1F2
SCHEMBL5778076 0.77 PLAU (0.34) PLAUPLGPLATKLK1F2
SCHEMBL5778082 0.77 PLAU (0.34) 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