SCHEMBL5776978

SCHEMBL5776978

CC(C)C1=NCCc2ccc(C=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.43
PLG P00747 3/20 0.43
PLAT P00750 3/20 0.43
F2 P00734 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
KLK1 P06870 2/20 0.42
KCNJ1 P48048 1/20 0.38
TYR P14679 1/20 0.37
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CES2 O00748 2/20 0.33
ALDH1A3 P47895 1/20 0.31
TSHR P16473 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL5776013 0.88 PLAU (0.42) PLAUPLGPLATF2KLKB1
SCHEMBL29957403 0.80 ALDH1A1 (0.46) KCNJ1ALDH1A1MEN1GAAMAPT
SCHEMBL5774054 0.76 PLAU (0.44) PLAUPLGPLATF2KLKB1
SCHEMBL7563935 0.76 NOS3 (0.51) KCNJ1ALDH1A1MEN1GAAMAPT
SCHEMBL5778545 0.76 PLAU (0.44) PLAUPLGPLATF2KLKB1
SCHEMBL5775841 0.76 PLAU (0.47) PLAUPLGPLATF2KLKB1
SCHEMBL5777991 0.74 PLAU (0.42) PLAUPLGPLATF2KLKB1
SCHEMBL5778347 0.74 CYP1A2 (0.39) PLAUKCNJ1ALDH1A1MEN1GAA
SCHEMBL5777317 0.73 PLAU (0.41) PLAUPLGPLATF2KLKB1
SCHEMBL7372578 0.72 PLAU (0.68) 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