SCHEMBL8342193

SCHEMBL8342193

CCP(=O)(On1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(N3CCOCC3)cc21)On1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(N3CCOCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK4 Q16099 1/20 0.40
GRIK5 Q16478 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8115792 0.81 GRIK1 (0.46) MAPTGRIK1GRIK2GRIK3GRIK4
SCHEMBL8346075 0.79 SLC22A6 (0.60) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8340369 0.78 MAPT (0.41) HTTMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL8120416 0.78 GRIK1 (0.42) HTTMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL8107840 0.78 GRIA1 (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8108014 0.76 ALDH1A1 (0.40) HTTMAPTLMNAALDH1A1
SCHEMBL8342187 0.76 GRIK1 (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8340372 0.76 HTT (0.39) HTTMAPTLMNAL3MBTL1GRIK1
SCHEMBL8342344 0.76 GRIK1 (0.42) MAPTGRIK1GRIK2GRIK3GRIK4
SCHEMBL8346022 0.75 GRIK1 (0.58) 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 claimed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US claimed