SCHEMBL841568

SCHEMBL841568

CCOC(=O)c1cc(Br)cc(C(=O)OCC)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 3/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 2/20 0.45
TARBP2 Q15633 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL19787931 0.93 ALDH1A1 (0.56) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL1425164 0.91 ALDH1A1 (0.54) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL3909018 0.88 ALDH1A1 (0.51) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL3094672 0.88 ALDH1A1 (0.51) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL13995281 0.87 CYP1A2 (0.49) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL3008182 0.87 ALDH1A1 (0.50) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL22854579 0.87 ALDH1A1 (0.50) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL3093655 0.85 ALDH1A1 (0.49) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL3095634 0.84 ALDH1A1 (0.48) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL862340 0.84 CYP1A2 (0.66) CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724918-A Pyridine aromatic amide luminescent macrocyclic compound and preparation method and application thereof 广东工业大学 2024-10-01 CN claimed
WO-2023129040-A2 A NEW PHOSPHOPEPTIDE ENRICHMENT MATERIAL CONTAINING MAGNETIC NANOPARTICLES AND A PRODUCTION METHOD THEREOF AKDENIZ UNIVERSITESI (TR) 2023-07-06 WO claimed
CN-118724918-A Pyridine aromatic amide luminescent macrocyclic compound and preparation method and application thereof 广东工业大学 2024-10-01 CN disclosed
WO-2023129040-A2 A NEW PHOSPHOPEPTIDE ENRICHMENT MATERIAL CONTAINING MAGNETIC NANOPARTICLES AND A PRODUCTION METHOD THEREOF AKDENIZ UNIVERSITESI (TR) 2023-07-06 WO disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
WO-2014147288-A1 LUMINESCENT TRIAZACYCLONONANE-BASED LANTHANIDE CHELATE COMPLEXES AS LABELLING REAGENTS KAIVOGEN OY (FI) 2014-09-25 WO disclosed
WO-2014147288-A1 LUMINESCENT TRIAZACYCLONONANE-BASED LANTHANIDE CHELATE COMPLEXES AS LABELLING REAGENTS KAIVOGEN OY (FI) 2014-09-25 WO disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-6077954-A COMPOUNDS ARE CONSTRUCTED TO INCLUDE A CENTRAL AROMATIC, ALIPHATIC, OR HETEROCYCLIC RING SYSTEM. ATTACHED TO THE CENTRAL RING SYSTEM ARE TWO LINEAR GROUPS HAVING NITROGENOUS MOIETIES THAT ARE DERIVATIZED WITH CHEMICAL FUNCTIONAL GROUPS. ISIS PHARMACEUTICALS, INC. (US) 2000-06-20 US disclosed
WO-1999011612-A2 SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
US-5457186-A Immunoassay WALLAC OY (FI) 1995-10-10 US disclosed
EP-0649020-A1 Luminescent lanthanide chelates with decreased non-radiative energy loss WALLAC OY (FI) 1995-04-19 EP disclosed