SCHEMBL13936637

SCHEMBL13936637

COCN(CO)c1nc(-c2ccccc2)nc(N(COC)CN(CO)c2nc(-c3ccccc3)nc(N(COC)C(C)=O)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PRNP P04156 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TSHR P16473 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TSPO P30536 3/20 0.32
HPGDS O60760 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 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
SCHEMBL2736011 0.89 ALDH1A1 (0.41) GAAALDH1A1TP53RAB9AL3MBTL1
SCHEMBL13140683 0.85 L3MBTL1 (0.38) GAAALDH1A1L3MBTL1KDM4EPRNP
SCHEMBL13140682 0.84 ACP1 (0.37) GAAALDH1A1L3MBTL1KDM4EPRNP
SCHEMBL16556335 0.80 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL13955257 0.78 L3MBTL1 (0.33) GAAALDH1A1L3MBTL1KDM4EPRNP
SCHEMBL2736010 0.77 ALDH1A1 (0.39) GAAALDH1A1TP53RAB9AKDM4E
SCHEMBL469073 0.77 L3MBTL1 (0.42) GAAALDH1A1TP53RAB9AL3MBTL1
SCHEMBL13936642 0.77 KDM4E (0.43) GAAALDH1A1TP53RAB9AL3MBTL1
SCHEMBL2736016 0.77 RAB9A (0.40) GAAALDH1A1TP53RAB9AKDM4E
SCHEMBL2736012 0.76 GAA (0.39) GAAALDH1A1TP53RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485409-B2 Planographic printing plate precursor FUJIFILM CORPORATION (JP) 2009-02-03 US disclosed