SCHEMBL5778347

SCHEMBL5778347

CCCC1=NCCc2ccc(C=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
RCE1 Q9Y256 1/20 0.39
KCNJ1 P48048 1/20 0.36
ALDH3A1 P30838 5/20 0.35
ALDH1A1 P00352 5/20 0.35
ALDH1A3 P47895 4/20 0.35
SLC2A1 P11166 1/20 0.35
RAD52 P43351 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAU P00749 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
SCHEMBL5775498 0.78 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL29957403 0.77 ALDH1A1 (0.46) HSD17B10KDM4EKCNJ1ALDH1A1ALDH1A3
SCHEMBL5777382 0.75 SLC6A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL5777383 0.75 SLC6A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL7563935 0.74 NOS3 (0.51) HSD17B10KDM4EKCNJ1ALDH1A1MEN1
SCHEMBL5776978 0.74 PLAU (0.43) HSD17B10KDM4EKCNJ1ALDH1A1ALDH1A3
SCHEMBL8484264 0.70 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL4103388 0.69 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL24528920 0.68 KDM4E (0.59) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL16705718 0.67 KDM4E (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10

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