SCHEMBL3898904

SCHEMBL3898904

CCCCCCN(CCCCCC)c1ccc2c(c1)Nc1cc(N(CCCCCC)CCCCCC)ccc1N2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN11 Q06124 1/20 0.37
PTPRO Q16827 1/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
SRC P12931 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 3/20 0.36
CNR2 P34972 1/20 0.35

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
Iodide SCHEMBL5027441 0.83 PTPN11 (0.36) ARKDM4ETDP1PTPN11PTPRO
SCHEMBL1470385 0.82 SNCA (0.37) ARKDM4ETDP1PTPN11PTPRO
Iodide SCHEMBL5027296 0.81 AR (0.36) ARKDM4ETDP1PTPN11PTPRO
SCHEMBL1472458 0.81 SNCA (0.39) ARKDM4ETDP1PTPN11PTPRO
SCHEMBL1472475 0.80 SNCA (0.38) ARKDM4ETDP1PTPN11PTPRO
SCHEMBL5724674 0.79 CNR2 (0.38) ARKDM4ETDP1PTPN11PTPRO
SCHEMBL12677177 0.79 CNR2 (0.46) KCNH2CNR2
SCHEMBL1815516 0.79 CNR2 (0.46) KCNH2CNR2
Iodide SCHEMBL3710697 0.77 NOX1 (0.48) KDM4ETDP1ALDH1A1POLBGAA
Iodide SCHEMBL3710701 0.77 NOX1 (0.48) KDM4ETDP1ALDH1A1POLBGAA

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 9 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-1614541-A2 Method of making a lithographic printing plate. Agfa-Gevaert (BE) 2006-01-11 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US 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