SCHEMBL9564550

SCHEMBL9564550

O=c1[nH]c2c([N+](=O)[O-])cccc2cc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.60
GRIA2 P42262 2/20 0.60
GRIA3 P42263 2/20 0.60
GRIA4 P48058 2/20 0.60
APEX1 P27695 2/20 0.45
PARP1 P09874 1/20 0.42
MAPT P10636 5/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PLCG2 P16885 2/20 0.40
THRB P10828 3/20 0.39
LMNA P02545 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 2/20 0.37
RECQL P46063 2/20 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
SCHEMBL9564548 0.79 GRIA1 (0.70) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9564554 0.75 GRIA1 (0.82) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9564532 0.75 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9564541 0.74 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL1370450 0.69 APEX1 (0.61) APEX1PARP1MAPTMAPK1NPC1
SCHEMBL9564555 0.69 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL21639494 0.68 APEX1 (0.68) APEX1PARP1MAPTMAPK1NPC1
SCHEMBL9564538 0.68 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL28798246 0.67 APEX1 (0.62) APEX1PARP1MAPTMAPK1NPC1
SCHEMBL28592519 0.67 APEX1 (0.62) APEX1PARP1MAPTMAPK1NPC1

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