SCHEMBL5776285

SCHEMBL5776285

CC(=O)N1CCc2cc(C=Cc3ccc4cc(C(=N)NO)ccc4c3)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 4/20 0.45
HDAC6 Q9UBN7 7/20 0.44
HDAC8 Q9BY41 2/20 0.44
PLAU P00749 3/20 0.43
NOTUM Q6P988 1/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 1/20 0.42
PRMT5 O14744 1/20 0.39
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5779866 0.87 PLAU (0.57) TMPRSS2PLAUNOTUM
SCHEMBL5779869 0.87 PLAU (0.57) TMPRSS2PLAUNOTUM
SCHEMBL5776169 0.82 PLAU (0.46) TMPRSS2HDAC6HDAC8PLAUNOTUM
SCHEMBL5776279 0.81 PLAU (0.43) TMPRSS2HDAC6HDAC8PLAUNOTUM
SCHEMBL5776273 0.81 PLAU (0.43) TMPRSS2HDAC6HDAC8PLAUNOTUM
SCHEMBL5777770 0.78 NOTUM (0.45) NOTUMMAPTHPGD
SCHEMBL5777772 0.78 NOTUM (0.45) NOTUMMAPTHPGD
SCHEMBL5776149 0.74 PLAU (0.74) PLAU
SCHEMBL1027560 0.74 HDAC6 (0.73) HDAC6HDAC8NOTUMHDAC1HDAC3
SCHEMBL15652274 0.73 NOTUM (0.59) HDAC6HDAC8NOTUMPRMT5MAPT

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