SCHEMBL8622167

SCHEMBL8622167

CCCC(Nc1c(N)cc([N+](=O)[O-])c2ccccc12)P(=O)(O)OC(C)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 3/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTSB P07858 2/20 0.33
APP P05067 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL8618782 0.94 HPGD (0.35) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8624121 0.93 MAPT (0.37) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8621438 0.92 MAPT (0.41) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8616781 0.89 MAPT (0.38) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8622852 0.86 LMNA (0.40) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8622978 0.85 MAPT (0.43) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8617973 0.85 MAPT (0.38) MAPTALDH1A1HPGDLMNAATM
SCHEMBL27461620 0.81 MAPT (0.42) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8616429 0.81 MAPT (0.42) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8622164 0.81 CA12 (0.42) MAPTALDH1A1HPGDLMNAATM

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