SCHEMBL5774054

SCHEMBL5774054

CC(C)C1=NCCc2ccc(I)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

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
TYMS P04818 2/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CES2 O00748 2/20 0.35
TDP2 O95551 1/20 0.33
ADRA2A P08913 1/20 0.32
PNMT P11086 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL5775841 0.80 PLAU (0.47) PLAUPLGPLATKLK1F2
SCHEMBL5778545 0.80 PLAU (0.44) PLAUPLGPLATKLK1F2
SCHEMBL5776978 0.76 PLAU (0.43) PLAUPLGPLATKLK1F2
SCHEMBL5778286 0.75 NOS3 (0.53) PLAUPLGPLATKLK1F2
SCHEMBL31158765 0.75 NOS3 (0.53) PLAUPLGPLATKLK1F2
SCHEMBL5777991 0.74 PLAU (0.42) PLAUPLGPLATKLK1F2
SCHEMBL11619994 0.74 NOS3 (0.39) TYMSNOS3NOS2TDP2ADRA2A
SCHEMBL23747284 0.70 KDM4E (0.63) CES2
SCHEMBL5772636 0.70 PLAU (0.44) PLAUPLGPLATKLK1F2
SCHEMBL25493356 0.63 HTR3A (0.41) PLAUPLGPLATF2KLKB1

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