SCHEMBL8616429

SCHEMBL8616429

CCC(C)OP(=O)(O)CNc1c(N)cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 5/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
CTSB P07858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
OPRK1 P41145 1/20 0.34
APP P05067 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MCL1 Q07820 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
SCHEMBL8621708 0.92 MAPT (0.50) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8617963 0.86 MAPT (0.39) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8616781 0.85 MAPT (0.38) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8624121 0.84 MAPT (0.37) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8622167 0.81 MAPT (0.35) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8617973 0.81 MAPT (0.38) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8619769 0.81 CDK2 (0.36) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8623637 0.80 MAPT (0.40) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8618782 0.79 HPGD (0.35) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8616424 0.78 MAPT (0.41) 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