SCHEMBL8340369

SCHEMBL8340369

CCOP(=O)(OCC)C(C)n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(N3CCOCC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
GRIK4 Q16099 1/20 0.39
GRIK5 Q16478 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8343002 0.96 MAPT (0.41) MAPTHTTLMNAL3MBTL1ALDH1A1
SCHEMBL8108014 0.86 ALDH1A1 (0.40) MAPTHTTLMNAALDH1A1
SCHEMBL8340372 0.85 HTT (0.39) MAPTHTTLMNAGRIK1GRIK2
SCHEMBL8342149 0.83 GRIK1 (0.38) MAPTLMNAGRIK1GRIK2GRIK3
SCHEMBL8342205 0.83 ALDH1A1 (0.40) MAPTHTTLMNAL3MBTL1ALDH1A1
SCHEMBL8115792 0.82 GRIK1 (0.46) MAPTGRIK1GRIK2GRIK3GRIK4
SCHEMBL8343007 0.81 HTT (0.39) MAPTHTTLMNAL3MBTL1ALDH1A1
SCHEMBL8345257 0.81 GRIN2D (0.38) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8346035 0.80 SLC22A6 (0.56) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8120416 0.79 GRIK1 (0.42) MAPTHTTLMNAGRIK1GRIK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed