SCHEMBL5777843

SCHEMBL5777843

COC(=O)c1cc(I)c2cc(C#N)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.46
LCK P06239 1/20 0.43
NCEH1 Q6PIU2 2/20 0.41
EGLN2 Q96KS0 1/20 0.41
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PTPN11 Q06124 2/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
APEX1 P27695 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL5775744 0.83 NCEH1 (0.47) PLAULCKNCEH1EGLN2NAMPT
SCHEMBL5776609 0.83 PLAU (0.46) PLAULCKNCEH1EGLN2NAMPT
SCHEMBL8381758 0.82 LCK (0.58) PLAULCKPTPN11KDM4EALDH1A1
SCHEMBL8312949 0.80 NCEH1 (0.44) PLAULCKNCEH1EGLN2NAMPT
SCHEMBL7345962 0.80 PLAU (0.46) PLAULCKNCEH1EGLN2NAMPT
SCHEMBL5566033 0.79 PLAU (0.64) PLAULCKNAMPTPOLBRXFP1
SCHEMBL23619741 0.79 TRPV4 (0.43) PLAULCKNCEH1EGLN2NAMPT
SCHEMBL5566965 0.79 VCAM1 (0.45) PLAULCKNCEH1POLBRXFP1
SCHEMBL30812891 0.79 TRPV4 (0.43) PLAULCKNCEH1EGLN2NAMPT
SCHEMBL3558563 0.78 PLAU (0.59) PLAULCKNCEH1EGLN2NAMPT

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