SCHEMBL6842274

SCHEMBL6842274

N=Cc1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.64
MAPT P10636 2/20 0.51
IDO1 P14902 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
AMY1A P0DUB6 1/20 0.49
AOC3 Q16853 2/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BCHE P06276 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
SCHEMBL28181946 0.82 CYP2A6 (0.69) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL2458425 0.82 CYP2A6 (0.69) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL2458423 0.82 CYP2A6 (0.69) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL15382720 0.80 CYP2A6 (0.56) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL11781426 0.78 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL219866 0.78 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL1177659 0.78 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL29396424 0.78 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL15359580 0.78 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL3809659 0.78 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696380-B2 Procatalysts, catalyst systems, and use in olefin polymerization WESTLAKE LONGVIEW CORPORATION 2004-02-24 US disclosed
US-6677410-B2 COORDINATION CATALYSTS EASTMAN CHEMICAL COMPANY 2004-01-13 US disclosed
US-6677266-B1 CONTACTING MAGNESIUM CHLORIDE WITH A VANADIUM COMPOUND CONTAINING AT LEAST ONE ELECTRON DONOR THEREBY YIELDING A PRODUCT THAT IS THEREAFTER CONTACTED WITH A TITANIUM COMPOUND EASTMAN CHEMICAL COMPANY 2004-01-13 US disclosed
US-20030004285-A1 Procatalysts, catalyst systems, and use in olefin polymerization WESTLAKE LONGVIEW CORPORATION 2003-01-02 US disclosed
US-6465383-B2 COORDINATION CATALYST EASTMAN CHEMICAL COMPANY 2002-10-15 US disclosed
US-20010051587-A1 Procatalysts, catalyst systems, and use in olefin polymerization WESTLAKE LONGVIEW CORPORATION 2001-12-13 US disclosed
US-20010031841-A1 Procatalysts, catalyst systems, and use in olefin polymerization WESTLAKE LONGVIEW CORPORATION 2001-10-18 US disclosed
US-20010025005-A1 Procatalysts, catalyst systems, and use in olefin polymerization EASTMAN CHEMICAL COMPANY, A CORPORATION OF DELAWARE 2001-09-27 US disclosed
WO-2001051526-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051528-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed