SCHEMBL8622844

SCHEMBL8622844

CCCCCC(Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12)P(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 5/20 0.35
GAA P10253 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL8621433 0.93 MAPT (0.42) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8618773 0.92 CA12 (0.41) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8622969 0.89 MAPT (0.44) LMNAHPGDATMMAPTALDH1A1
SCHEMBL9039361 0.86 TDP1 (0.37) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8622164 0.84 CA12 (0.42) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8618857 0.82 MAPT (0.44) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8622852 0.81 LMNA (0.40) LMNAHPGDATMMAPTALDH1A1
SCHEMBL9051538 0.81 CA12 (0.37) LMNAMAPTKMT2ATDP1MEN1
SCHEMBL8624112 0.81 CA12 (0.44) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8621394 0.80 KDM4E (0.50) LMNAHPGDATMMAPTALDH1A1

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