SCHEMBL8893002

SCHEMBL8893002

CN(C)c1cc2nc(Cl)c(Cl)nc2cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
GALR2 O43603 1/20 0.45
LMNA P02545 1/20 0.45
PGK1 P00558 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
HCAR3 P49019 1/20 0.43
EGFR P00533 1/20 0.42
MAPT P10636 5/20 0.39
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
VCAM1 P19320 1/20 0.36
GLP1R P43220 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
APEX1 P27695 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
SCHEMBL8891999 0.83 POLB (0.43) POLBGALR2LMNAPGK1KDM4E
SCHEMBL31530748 0.82 LMNA (0.57) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL8552936 0.82 LMNA (0.57) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL31530747 0.82 LMNA (0.57) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL8556955 0.77 GAA (0.51) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL1291907 0.77 PGK1 (0.61) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL5722727 0.74 POLB (0.44) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL8917176 0.73 PGK1 (0.47) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL19732138 0.72 MAPT (0.46) KDM4EALDH1A1HTTHCAR3MAPT
SCHEMBL31425811 0.71 HCAR3 (0.44) LMNAKDM4EALDH1A1HTTHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997032858-A1 QUINOXALINE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-12 WO disclosed