SCHEMBL8622852

SCHEMBL8622852

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL8621438 0.93 MAPT (0.41) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8618782 0.93 HPGD (0.35) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8622978 0.90 MAPT (0.43) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8618866 0.86 MAPT (0.45) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8622167 0.86 MAPT (0.35) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8624121 0.82 MAPT (0.37) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8621400 0.82 MAPT (0.43) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8622844 0.81 LMNA (0.41) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8616781 0.78 MAPT (0.38) LMNAHPGDATMMAPTALDH1A1
SCHEMBL8621708 0.78 MAPT (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