SCHEMBL8892839

SCHEMBL8892839

CSc1cc2nc(NS(C)(=O)=O)c(Cl)nc2cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.45
POLB P06746 3/20 0.43
GALR2 O43603 1/20 0.43
LMNA P02545 1/20 0.43
GLP1R P43220 2/20 0.43
CCR2 P41597 2/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
PIN1 Q13526 1/20 0.35
RXFP1 Q9HBX9 7/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 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
SCHEMBL8893491 0.87 PGK1 (0.59) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8892240 0.84 PDE7A (0.51) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8893038 0.84 POLB (0.47) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8917176 0.83 PGK1 (0.47) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8892065 0.82 PGK1 (0.39) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8891980 0.82 POLB (0.46) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8891999 0.81 POLB (0.43) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8891651 0.77 LMNA (0.40) PGK1POLBGALR2LMNAGLP1R
SCHEMBL8892306 0.76 GUCY1B2 (0.50) POLBLMNAALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8891535 0.74 LMNA (0.44) POLBLMNAALDH1A1SMN1; SMN2KMT2A

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