SCHEMBL9564549

SCHEMBL9564549

O=c1[nH]c2cc3c(cc2cc1NS(=O)(=O)C(F)(F)F)OCO3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.54
GRIA2 P42262 1/20 0.54
GRIA3 P42263 1/20 0.54
GRIA4 P48058 1/20 0.54
CA2 P00918 1/20 0.47
AKR1B1 P15121 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 6/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
NSD2 O96028 1/20 0.36
HSD17B10 Q99714 3/20 0.36
EIF4E P06730 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9564533 0.79 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564548 0.74 GRIA1 (0.70) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564541 0.74 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564526 0.74 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564531 0.74 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564528 0.74 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564538 0.73 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL9564532 0.70 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4L3MBTL1
SCHEMBL13850474 0.68 CA2 (0.51) CA2AKR1B1L3MBTL1KDM4EKMT2A
SCHEMBL9564547 0.68 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4KDM4E

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