SCHEMBL5778545

SCHEMBL5778545

CC(C)C1=NCCc2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.44
PLG P00747 3/20 0.44
PLAT P00750 3/20 0.44
KLK1 P06870 2/20 0.44
F2 P00734 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TYMS P04818 2/20 0.37
CES2 O00748 2/20 0.35
CHEK2 O96017 1/20 0.34
ROS1 P08922 1/20 0.34
MARK3 P27448 1/20 0.34
LTK P29376 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MINK1 Q8N4C8 1/20 0.34

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
SCHEMBL5772636 0.87 PLAU (0.44) PLAUPLGPLATKLK1F2
SCHEMBL5774054 0.80 PLAU (0.44) PLAUPLGPLATKLK1F2
SCHEMBL5775841 0.80 PLAU (0.47) PLAUPLGPLATKLK1F2
SCHEMBL1009165 0.77 MAOA (0.50) TDP1L3MBTL1PARP1PARP10TYMS
SCHEMBL29405492 0.77 MAOA (0.50) TDP1L3MBTL1PARP1PARP10TYMS
SCHEMBL5776978 0.76 PLAU (0.43) PLAUPLGPLATKLK1F2
SCHEMBL31158765 0.75 NOS3 (0.53) PLAUPLGPLATKLK1F2
SCHEMBL5778286 0.75 NOS3 (0.53) PLAUPLGPLATKLK1F2
SCHEMBL5777991 0.74 PLAU (0.42) PLAUPLGPLATKLK1F2
SCHEMBL15399817 0.73 TDP1 (0.39) TDP1L3MBTL1PARP1PARP10TYMS

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