SCHEMBL5776609

SCHEMBL5776609

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.46
USP2 O75604 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
LCK P06239 1/20 0.43
NCEH1 Q6PIU2 2/20 0.41
EGLN2 Q96KS0 1/20 0.41
NAMPT P43490 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
PTPN11 Q06124 2/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 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) PLAUKDM4EALDH1A1HPGDMAPT
SCHEMBL5777843 0.83 PLAU (0.46) PLAUKDM4EALDH1A1HPGDMAPT
SCHEMBL7345962 0.80 PLAU (0.46) PLAUKDM4EALDH1A1HPGDMAPT
SCHEMBL8312949 0.80 NCEH1 (0.44) PLAUKDM4EALDH1A1HPGDMAPT
SCHEMBL5566033 0.79 PLAU (0.64) PLAUUSP2MAPTLCKNAMPT
SCHEMBL23619741 0.79 TRPV4 (0.43) PLAUKDM4EALDH1A1HPGDMAPT
SCHEMBL5566965 0.79 VCAM1 (0.45) PLAUKDM4EALDH1A1HPGDMAPT
SCHEMBL30812891 0.79 TRPV4 (0.43) PLAUKDM4EALDH1A1HPGDMAPT
SCHEMBL3558563 0.78 PLAU (0.59) PLAUKDM4EALDH1A1HPGDMAPT
SCHEMBL5560772 0.76 CYP11B2 (0.42) KDM4EALDH1A1HPGDMAPTMEN1

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