SCHEMBL3456136

SCHEMBL3456136

c1ccc(-c2ccc(-c3nc(-c4nc(-c5ccc(-c6ccccc6)cc5)c(-c5ccc(-c6ccccc6)cc5)[nH]4)[nH]c3-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.74
MAPK12 P53778 9/20 0.74
MAPK11 Q15759 9/20 0.74
MAPK14 Q16539 9/20 0.74
RAF1 P04049 4/20 0.74
GCGR P47871 5/20 0.71
MAPK9 P45984 1/20 0.68
PTPN1 P18031 1/20 0.68
NOX1 Q9Y5S8 1/20 0.65
NT5E P21589 1/20 0.64
MGAM O43451 1/20 0.64
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL739928 0.96 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL16667652 0.94 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5074753 0.92 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
Benzene SCHEMBL28852698 0.89 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL104130 0.89 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
Methane SCHEMBL3278320 0.88 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27850480 0.88 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL10143966 0.87 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL17133348 0.86 MGAM (0.77) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL31255400 0.86 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217450-A1 PROCESSING OF LITHOGRAPHIC PRINTING PLATES WITH HYDROPHILIC POLYMER IN FINISHER SOLUTION Eastman Kodak Company (US) 2010-08-18 EP disclosed
WO-2010066820-A1 NEGATIVE WORKING LITHOGRAPHIC PRINTING PLATE PRECURSORS COMPRISING A REACTIVE BINDER CONTAINING ALIPHATIC BI- OR POLYCYCLIC MOIETIES EASTMAN KODAK COMPANY (US) 2010-06-17 WO disclosed
WO-2009065849-A1 PROCESSING OF LITHOGRAPHIC PRINTING PLATES WITH HYDROPHILIC POLYMER IN FINISHER SOLUTION EASTMAN KODAK COMPANY (US) 2009-05-28 WO disclosed