SCHEMBL61879

SCHEMBL61879

COC(Nc1nc(NCO)nc(NCO)n1)OC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C19 P33261 2/20 0.31

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
SCHEMBL3123080 0.82 GAA (0.39) HTTALDH1A1CYP1A2MEN1KMT2A
Hexamethylolmelamine SCHEMBL8590629 0.80 KMT2A (0.39) HTTALDH1A1CYP1A2MEN1KMT2A
Hexamethylolmelamine SCHEMBL62548 0.75 KMT2A (0.39) HTTALDH1A1CYP1A2MEN1KMT2A
Hexamethylolmelamine SCHEMBL4055297 0.74 MEN1 (0.39) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL5318011 0.72 KMT2A (0.34) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL12155339 0.72 MEN1 (0.38) HTTALDH1A1CYP1A2MEN1KMT2A
Hexamethylolmelamine SCHEMBL11651779 0.72 KMT2A (0.39) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL62380 0.71 GAA (0.35) ALDH1A1CYP1A2GAAL3MBTL1CYP2C19
SCHEMBL63309 0.69 SMN1; SMN2 (0.34) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL13216046 0.69 GAA (0.41) MEN1KMT2AGAAMCL1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129090-B2 Process for on-press developable lithographic printing plate involving preheat TENG GARY GANGHUI (US) 2012-03-06 US disclosed
US-7966934-B2 Process for on-press developing overcoat-free lithographic printing plate TENG GARY GANGHUI 2011-06-28 US disclosed
US-20090061364-A1 Process for on-press developable lithographic printing plate involving preheat TENG GARY GANGHUI 2009-03-05 US disclosed
US-20090025591-A1 Process for on-press developing overcoat-free lithographic printing plate TENG GARY GANGHUI 2009-01-29 US disclosed