SCHEMBL5776013

SCHEMBL5776013

CC(C)C1=NCCc2cc(C=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.42
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TYR P14679 1/20 0.37
PLG P00747 3/20 0.36
PLAT P00750 3/20 0.36
F2 P00734 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
KLK1 P06870 2/20 0.35
MIF P14174 1/20 0.34
CES2 O00748 2/20 0.33
ALDH1A3 P47895 5/20 0.33
KCNJ1 P48048 1/20 0.32
TSHR P16473 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
SCHEMBL5776978 0.88 PLAU (0.43) PLAUALDH1A1MEN1GAAMAPT
SCHEMBL5772636 0.76 PLAU (0.44) PLAUPLGPLATF2KLKB1
SCHEMBL5778396 0.73 PLAU (0.41) PLAUPLGPLATF2KLKB1
SCHEMBL5778397 0.73 PLAU (0.41) PLAUPLGPLATF2KLKB1
SCHEMBL6659325 0.72 SRD5A1 (0.46) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL5778286 0.72 NOS3 (0.53) PLAUALDH1A1PLGPLATF2
SCHEMBL29957403 0.70 ALDH1A1 (0.46) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL5778128 0.68 TYR (0.33) ALDH1A1TYRALDH1A3
SCHEMBL11813271 0.67 SRD5A1 (0.53) ALDH1A1ALDH1A3
SCHEMBL23747284 0.67 KDM4E (0.63) ALDH1A1MEN1GAAMAPTHPGD

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