SCHEMBL8621704

SCHEMBL8621704

CCOP(=O)(CNc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 5/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPRT1 P00492 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
NPC1 O15118 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
SCHEMBL8616424 0.89 MAPT (0.41) MAPTHPGDALDH1A1LMNAATM
SCHEMBL8623631 0.81 MAPT (0.43) MAPTHPGDALDH1A1LMNAATM
SCHEMBL8622969 0.78 MAPT (0.44) MAPTHPGDALDH1A1LMNAATM
SCHEMBL8618857 0.78 MAPT (0.44) MAPTHPGDALDH1A1LMNAATM
SCHEMBL8621708 0.78 MAPT (0.50) MAPTHPGDALDH1A1LMNAATM
SCHEMBL8619763 0.78 CA2 (0.40) MAPTHPGDALDH1A1LMNAATM
SCHEMBL9029547 0.77 MAPT (0.68) MAPTHPGDALDH1A1LMNAATM
SCHEMBL8621433 0.75 MAPT (0.42) MAPTHPGDALDH1A1LMNAATM
SCHEMBL8621394 0.75 KDM4E (0.50) MAPTHPGDALDH1A1LMNAATM
SCHEMBL8609188 0.75 MAPT (0.58) MAPTHPGDALDH1A1LMNAATM

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-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed