SCHEMBL7960858

SCHEMBL7960858

Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN(C)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
RORC P51449 1/20 0.37
MAPT P10636 1/20 0.37
PARP1 P09874 1/20 0.36
PTGES O14684 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MYC P01106 1/20 0.36
MAX P61244 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
SCHEMBL7960263 0.85 GRIA1 (0.50) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7964396 0.83 GRIA1 (0.46) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7961923 0.79 GRIA1 (0.46) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7958054 0.78 GRIA1 (0.56) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7958315 0.78 GRIA1 (0.47) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7959292 0.78 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL7948140 0.78 GRIA1 (0.48) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7959733 0.77 ALDH1A1 (0.53) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7957879 0.76 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7949818 0.76 GRIA1 (0.51) ALDH1A1GRIA1GRIA2GRIA3GRIA4

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
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US claimed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO claimed
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed