SCHEMBL8624121

SCHEMBL8624121

CCC(C)OP(=O)(O)C(CC)Nc1c(N)cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 4/20 0.36
ATM Q13315 1/20 0.36
CTSB P07858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 3/20 0.34
MAPK1 P28482 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 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
SCHEMBL8622167 0.93 MAPT (0.35) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL8622978 0.92 MAPT (0.43) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL8616781 0.92 MAPT (0.38) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL8618782 0.91 HPGD (0.35) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL8617973 0.87 MAPT (0.38) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL27461620 0.86 MAPT (0.42) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL8620840 0.85 MAPT (0.39) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL8621438 0.85 MAPT (0.41) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL8616429 0.84 MAPT (0.42) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL8618866 0.83 MAPT (0.45) MAPTALDH1A1HPGDKMT2AMEN1

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