SCHEMBL9564532

SCHEMBL9564532

O=c1[nH]c2cc([N+](=O)[O-])ccc2cc1NS(=O)(=O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 1.00
GRIA2 P42262 2/20 1.00
GRIA3 P42263 2/20 1.00
GRIA4 P48058 2/20 1.00
LMNA P02545 2/20 0.44
PARP1 P09874 2/20 0.43
DAO P14920 1/20 0.39
MAPT P10636 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
NOS1 P29475 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37

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 0.90 GRIA1 (0.82) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL9564548 0.82 GRIA1 (0.70) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL9564526 0.80 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9564531 0.80 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9564541 0.78 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4DAO
SCHEMBL9564550 0.75 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL9564533 0.74 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL9564547 0.74 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564538 0.73 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4DAO
SCHEMBL8687546 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4LMNA

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
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 claimed
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