SCHEMBL5722679

SCHEMBL5722679

COc1nc2cc(F)c([N+](=O)[O-])cc2nc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
GALR2 O43603 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 3/20 0.41
ATM Q13315 1/20 0.41
ESPL1 Q14674 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HIF1A Q16665 1/20 0.40
HTT P42858 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
VCAM1 P19320 1/20 0.38
GRM6 O15303 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
PGK1 P00558 1/20 0.37
MAPT P10636 3/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 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
SCHEMBL6603312 0.85 KCNMA1 (0.38) POLBGALR2LMNATDP1ATM
SCHEMBL6602596 0.81 ALDH1A1 (0.41) POLBGALR2LMNAALDH1A1MAPT
SCHEMBL5722727 0.77 POLB (0.44) POLBGALR2LMNATDP1ATM
SCHEMBL5722594 0.77 LMNA (0.37) POLBGALR2LMNATDP1ATM
SCHEMBL30905617 0.76 GRIA1 (0.68) POLBGALR2LMNATDP1ALDH1A1
SCHEMBL23620108 0.76 ALDH1A1 (0.40) POLBGALR2LMNATDP1ATM
SCHEMBL29829625 0.76 ALDH1A1 (0.40) POLBGALR2LMNATDP1ATM
SCHEMBL13729984 0.75 ALDH1A1 (0.42) TDP1ATMALDH1A1HIF1AHTT
SCHEMBL29830193 0.75 ALDH1A1 (0.42) TDP1ATMALDH1A1HIF1AHTT
SCHEMBL7960036 0.74 ALDH1A1 (0.40) POLBGALR2LMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097927-B1 CYANOIMINOQUINOXALINE DERIVATIVES SHIONOGI & CO (JP) 2006-07-19 EP disclosed
US-6525054-B1 Antagonistic effects on glutamate receptors of central neurons, in particular, NMDA receptors and AMPA receptors; diseases due to hyperexcitation of glutamate receptors SHIONOGI & CO., LTD. (JP) 2003-02-25 US disclosed
CN-1304404-A Cyanoiminoquinoxaline derivatives SHIONOGI & CO (JP) 2001-07-18 CN disclosed
EP-1097927-A1 CYANOIMINOQUINOXALINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2001-05-09 EP disclosed