SCHEMBL9564528

SCHEMBL9564528

O=c1[nH]c2ccc(Br)cc2cc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.56
GRIA2 P42262 1/20 0.56
GRIA3 P42263 1/20 0.56
GRIA4 P48058 1/20 0.56
SLC22A12 Q96S37 1/20 0.46
CA2 P00918 5/20 0.42
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
CNR1 P21554 2/20 0.38
BCAT1 P54687 1/20 0.37
CYP19A1 P11511 1/20 0.36
CA1 P00915 1/20 0.36
IDH1 O75874 1/20 0.36
PARG Q86W56 1/20 0.35
KMT2A Q03164 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
SCHEMBL9564541 0.82 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564533 0.78 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564552 0.78 SMN1; SMN2 (0.54) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9564526 0.76 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564531 0.76 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4SLC22A12
SCHEMBL9564538 0.75 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PTGS1
SCHEMBL9564548 0.74 GRIA1 (0.70) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564549 0.74 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL30806289 0.72 HCAR1 (0.44) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL9564532 0.72 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4

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