SCHEMBL62380

SCHEMBL62380

COC(OC)N(CO)c1nc(NCO)nc(NCO)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL62581 0.91 GAA (0.32) GAA
SCHEMBL61877 0.89 GAA (0.31) GAAALDH1A1
SCHEMBL11776850 0.75 GAA (0.39) GAAALDH1A1CYP1A2CYP2C19L3MBTL1
Hexamethylolmelamine SCHEMBL8590629 0.74 KMT2A (0.39) GAAALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL377578 0.73 NPC1 (0.31)
Hexamethylolmelamine SCHEMBL10631120 0.73 GAA (0.34) GAAALDH1A1CYP1A2CYP2C19L3MBTL1
Methoxymethane SCHEMBL9721876 0.73 GAA (0.37) GAAALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL11764172 0.72 GAA (0.42) GAAALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL62455 0.71 GAA (0.36) GAACYP1A2CYP2C19L3MBTL1KDM4E
SCHEMBL62432 0.71 GAA (0.34) GAAALDH1A1CYP1A2CYP2C19L3MBTL1

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