SCHEMBL2564349

SCHEMBL2564349

COCCN(CCc1cc(NCc2ccccc2)c([N+](=O)[O-])c(NCc2ccccc2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 11/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 3/20 0.39
BLM P54132 2/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
EGFR P00533 1/20 0.39
POLB P06746 1/20 0.36

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
SCHEMBL2572273 0.83 MAPT (0.50) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL2574381 0.79 MAPT (0.46) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL2567876 0.76 MAPT (0.53) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL2564351 0.74 KMT2A (0.39) LMNAHTTALDH1A1MAPTL3MBTL1
SCHEMBL2572361 0.74 MAPT (0.55) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL2573379 0.73 MAPT (0.51) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL13407309 0.71 MAPT (0.59) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL2573499 0.70 MAPT (0.53) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL2572337 0.70 MAPT (0.53) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL2573075 0.69 MAPT (0.55) LMNAHTTALDH1A1MAPTHPGD

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
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed