SCHEMBL3899347

SCHEMBL3899347

CC(C)(C)N(c1ccc(C(c2ccc(N(C(C)(C)C)C(C)(C)C)cc2)c2ccc(N(C(C)(C)C)C(C)(C)C)cc2)cc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.30

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
SCHEMBL7175816 0.72 ALDH1A1 (0.52) CYP1A2CYP3A4MAPTTSHRMAPK1
SCHEMBL9488058 0.72 ALDH1A1 (0.30) TSHR
SCHEMBL447255 0.72 ESR1 (0.46) CYP3A4MAPTTSHR
SCHEMBL23325316 0.72 TSHR (0.48) SLC2A1MAPTTSHRMAPK1TDP1
SCHEMBL2056786 0.70 MEN1 (0.40) CYP1A2CYP3A4MAPTTSHRMAPK1
SCHEMBL9626237 0.70 SLC2A1 (0.71) SLC2A1CYP1A2CYP3A4MAPTTSHR
SCHEMBL61574 0.70 SLC2A1 (0.71) SLC2A1CYP1A2CYP3A4MAPTTSHR
SCHEMBL27726280 0.68 CA1 (0.52) SLC2A1CYP3A4MAPTTSHRMAPK1
SCHEMBL24433604 0.68 ALDH1A1 (0.43) CYP1A2CYP3A4MAPTMAPK1TDP1
SCHEMBL18352004 0.68 L3MBTL1 (0.39) SLC2A1CYP1A2CYP3A4MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765592-B1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2009-01-28 EP disclosed
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
EP-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed
EP-1614541-A2 Method of making a lithographic printing plate. Agfa-Gevaert (BE) 2006-01-11 EP disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed
US-4139390-A Presensitized printing plate having a print-out image EASTMAN KODAK COMPANY (US) 1979-02-13 US disclosed