SCHEMBL9564548

SCHEMBL9564548

O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1NS(=O)(=O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.70
GRIA2 P42262 5/20 0.70
GRIA3 P42263 5/20 0.70
GRIA4 P48058 5/20 0.70
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 2/20 0.46
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
GRIK3 Q13003 2/20 0.46
GRIK4 Q16099 2/20 0.46
GRIK5 Q16478 2/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL9564554 0.82 GRIA1 (0.82) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564532 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564550 0.79 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564533 0.79 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564549 0.74 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564541 0.74 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564531 0.74 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564526 0.74 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL9564528 0.74 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL8682373 0.71 GRIA2 (0.56) GRIA1GRIA2GRIA3GRIA4MAPT

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
EP-0542609-A1 3-sulfonylamino-2-(1H)-quinolinones and 7-aza derivatives as excitatory amino acids antagonists ADIR ET COMPAGNIE (FR) 1993-05-19 EP disclosed