SCHEMBL7349744

SCHEMBL7349744

O=C(O)c1ccccc1Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
GRIK3 Q13003 2/20 0.45
GRIK4 Q16099 2/20 0.45
GRIK5 Q16478 2/20 0.45
GRIA1 P42261 4/20 0.44
GRIA2 P42262 4/20 0.44
GRIA3 P42263 4/20 0.44
GRIA4 P48058 4/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MPI P34949 1/20 0.43
KMT2A Q03164 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
FASN P49327 1/20 0.42
PLA2G10 O15496 1/20 0.41
MGAM O43451 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL7359747 0.92 PGR (0.45) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7354439 0.87 CYP1A2 (0.48) MEN1ALDH1A1KMT2A
SCHEMBL7357010 0.86 GRIK1 (0.47) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL9395755 0.83 PGR (0.54) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL7358171 0.82 FEN1 (0.49) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7352345 0.81 CCR2 (0.46) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL9093775 0.79 GRIA1 (0.58) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7353217 0.79 MEN1 (0.51) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL7349770 0.78 GRIK1 (0.61) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7354860 0.78 GRIK1 (0.47) 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-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed