SCHEMBL8891287

SCHEMBL8891287

O=[N+]([O-])c1cc2nc(Cl)c(NS(=O)(=O)C(F)(F)F)nc2cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
GALR2 O43603 1/20 0.40
LMNA P02545 1/20 0.40
PGK1 P00558 1/20 0.40
RXFP1 Q9HBX9 6/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GLP1R P43220 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
VCAM1 P19320 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8891980 0.85 POLB (0.46) POLBGALR2LMNAPGK1RXFP1
SCHEMBL8890570 0.83 PGK1 (0.48) POLBGALR2LMNAPGK1RXFP1
SCHEMBL8891038 0.83 POLB (0.43) POLBGALR2LMNAPGK1RXFP1
SCHEMBL5722727 0.78 POLB (0.44) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL8892461 0.76 RXFP1 (0.48) POLBLMNARXFP1KDM4EMEN1
SCHEMBL10044529 0.73 RXFP1 (0.62) POLBRXFP1KDM4EMEN1KMT2A
SCHEMBL8893491 0.72 PGK1 (0.59) POLBGALR2LMNAPGK1RXFP1
SCHEMBL8893038 0.71 POLB (0.47) POLBGALR2LMNAPGK1RXFP1
SCHEMBL5722594 0.68 LMNA (0.37) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL8892839 0.68 PGK1 (0.45) POLBGALR2LMNAPGK1RXFP1

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
WO-1997032858-A1 QUINOXALINE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-12 WO disclosed