SCHEMBL9564552

SCHEMBL9564552

CC(=O)Nc1ccc2[nH]c(=O)c(NS(=O)(=O)C(F)(F)F)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
MMP13 P45452 2/20 0.45
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.42
KIF11 P52732 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 1/20 0.41
HPGD P15428 1/20 0.41
CHEK1 O14757 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL9564547 0.91 GRIA1 (0.58) SMN1; SMN2MAPK1GRIA1GRIA2GRIA3
SCHEMBL9564528 0.78 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9564541 0.76 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL122373 0.75 MAPK1 (0.66) SMN1; SMN2MAPK1KMT2APKMALDH1A1
SCHEMBL11511786 0.74 MAPK1 (0.64) SMN1; SMN2MAPK1KMT2APKMALDH1A1
SCHEMBL9564533 0.72 GRIA1 (0.58) SMN1; SMN2GRIA1GRIA2GRIA3GRIA4
SCHEMBL9564531 0.70 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4KIF11
SCHEMBL9564526 0.70 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6001666 0.70 KDM4E (0.52) SMN1; SMN2MAPK1MMP13KMT2AMEN1
SCHEMBL6015700 0.70 MAOB (0.67) SMN1; SMN2MMP13ROCK2ROCK1KMT2A

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