SCHEMBL8890570

SCHEMBL8890570

CCS(=O)(=O)Nc1nc2cc(F)c([N+](=O)[O-])cc2nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.48
POLB P06746 2/20 0.43
GALR2 O43603 1/20 0.43
LMNA P02545 1/20 0.43
GLP1R P43220 1/20 0.43
RXFP1 Q9HBX9 9/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.35
VCAM1 P19320 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33

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 0.88 POLB (0.46) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8891038 0.85 POLB (0.43) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8891287 0.83 POLB (0.40) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8900822 0.79 GUCY1B2 (0.48) PGK1POLBLMNARXFP1KDM4E
SCHEMBL5722727 0.78 POLB (0.44) PGK1POLBGALR2LMNAALDH1A1
SCHEMBL8892461 0.76 RXFP1 (0.48) POLBLMNARXFP1KDM4EMEN1
SCHEMBL8893491 0.74 PGK1 (0.59) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8893038 0.73 POLB (0.47) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8891354 0.71 GUCY1B2 (0.45) PGK1POLBLMNARXFP1KDM4E
SCHEMBL3578944 0.71 RXFP1 (0.62) POLBLMNARXFP1KDM4EMEN1

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