SCHEMBL8340372

SCHEMBL8340372

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK4 Q16099 2/20 0.37
GRIK5 Q16478 2/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36

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
SCHEMBL8343007 0.97 HTT (0.39) HTTMAPTLMNAL3MBTL1
SCHEMBL8108014 0.87 ALDH1A1 (0.40) HTTMAPTLMNA
SCHEMBL8342344 0.85 GRIK1 (0.42) MAPTGRIK1GRIK2GRIK3GRIK4
SCHEMBL8340369 0.85 MAPT (0.41) HTTMAPTLMNAL3MBTL1GRIK1
SCHEMBL8342152 0.84 GRIK1 (0.36) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8342205 0.83 ALDH1A1 (0.40) HTTMAPTLMNAL3MBTL1
SCHEMBL8345260 0.83 GRIK1 (0.34) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8343088 0.82 GRIK1 (0.39) HTTMAPTLMNAL3MBTL1GRIK1
SCHEMBL8343002 0.81 MAPT (0.41) HTTMAPTLMNAL3MBTL1
SCHEMBL8346034 0.81 SLC22A6 (0.56) GRIK1GRIK2GRIK3GRIK4GRIK5

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