SCHEMBL2882792

SCHEMBL2882792

Cc1cccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c12)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Co]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.42
CYP3A4 P08684 6/20 0.42
CYP2D6 P10635 5/20 0.42
CLK4 Q9HAZ1 5/20 0.42
HSD17B10 Q99714 5/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX15 P16050 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.37
KIF11 P52732 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL3421160 0.98 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
SCHEMBL3419882 0.97 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
SCHEMBL24733266 0.87 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
SCHEMBL7455206 0.85 MEN1 (0.40) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
SCHEMBL8416215 0.84 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
Ciaftalan SCHEMBL15992891 0.83 MEN1 (0.45) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
Ciaftalan SCHEMBL51772 0.83 MEN1 (0.45) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
Ciaftalan SCHEMBL28102961 0.83 MEN1 (0.45) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
SCHEMBL813548 0.83 MEN1 (0.38) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
Ciaftalan SCHEMBL9792952 0.83 MEN1 (0.38) CYP1A2CYP3A4CYP2D6CLK4HSD17B10

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117431552-A Carbon dioxide high value conversion system 天津大学 2024-01-23 CN claimed
CN-117431552-A Carbon dioxide high value conversion system 天津大学 2024-01-23 CN disclosed
CN-115652364-B Cobalt phthalocyanine-amino carbon nanotube catalyst and preparation method and application thereof 河北工业大学 2023-05-09 CN disclosed
US-20170238851-A1 Differential Biosensor System ECHO THERAPEUTICS INC (US) 2017-08-24 US disclosed
WO-2016033204-A2 DIFFERENTIAL BIOSENSOR SYSTEM ECHO THERAPEUTICS, INC. (US) 2016-03-03 WO disclosed
EP-1446050-B1 HAND-HELD MEDICAL APPARATUS KEMETA LLC (US) 2012-07-11 EP disclosed
US-7794994-B2 Enzyme-based system and sensor for measuring acetone KEMETA, LLC (US) 2010-09-14 US disclosed
US-7364551-B2 Hand-held medical apparatus KAMATA, LLC (US) 2008-04-29 US disclosed
US-20080004542-A1 MEDICAL APPARATUS FOR BREATH DETECTION INVOY TECHNOLOGIES, LLC 2008-01-03 US disclosed
EP-1523551-A4 AN ENZYME-BASED SYSTEM AND SENSOR FOR MEASURING ACETONE ROSESTREET LABS LLC (US) 2007-10-31 EP disclosed
EP-1446050-A4 HAND-HELD MEDICAL APPARATUS ROSESTREET LABS LLC (US) 2007-06-27 EP disclosed
CN-1620502-A Enzyme-based system and sensor for measuring acetone DOW GLOBAL TECHNOLOGIES INC (US) 2005-05-25 CN disclosed
US-20050084921-A1 Using acetone-specific enzyme reactions for use in weight loss management, drug screening and disease detection INVOY HOLDINGS INC. 2005-04-21 US disclosed
EP-1523551-A2 AN ENZYME-BASED SYSTEM AND SENSOR FOR MEASURING ACETONE DOW GLOBAL TECHNOLOGIES INC. (US) 2005-04-20 EP disclosed
US-20040236244-A1 Hand-held medical apparatus INVOY HOLDINGS INC. 2004-11-25 US disclosed
EP-1446050-A1 HAND-HELD MEDICAL APPARATUS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-08-18 EP disclosed
WO-2003039367-A1 HAND-HELD MEDICAL APPARATUS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-05-15 WO disclosed
WO-2003039483-A2 AN ENZYME-BASED SYSTEM AND SENSOR FOR MEASURING ACETONE DOW GLOBAL TECHNOLOGIES INC. (US) 2003-05-15 WO disclosed