SCHEMBL8893038

SCHEMBL8893038

Cc1cc2nc(NS(C)(=O)=O)c(Cl)nc2cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
GALR2 O43603 1/20 0.47
LMNA P02545 1/20 0.47
PGK1 P00558 1/20 0.45
GLP1R P43220 1/20 0.43
RXFP1 Q9HBX9 7/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CCR2 P41597 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
PIN1 Q13526 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 0.88 PGK1 (0.59) POLBGALR2LMNAPGK1GLP1R
SCHEMBL8891980 0.86 POLB (0.46) POLBGALR2LMNAPGK1GLP1R
SCHEMBL8891999 0.84 POLB (0.43) POLBGALR2LMNAPGK1GLP1R
SCHEMBL8892839 0.84 PGK1 (0.45) POLBGALR2LMNAPGK1GLP1R
SCHEMBL8556955 0.81 GAA (0.51) POLBGALR2LMNAPGK1ALDH1A1
SCHEMBL8891651 0.80 LMNA (0.40) POLBGALR2LMNAPGK1GLP1R
SCHEMBL8892306 0.79 GUCY1B2 (0.50) POLBLMNARXFP1ALDH1A1L3MBTL1
SCHEMBL8892240 0.78 PDE7A (0.51) POLBGALR2LMNAPGK1GLP1R
Hydrochloric Acid SCHEMBL8891535 0.77 LMNA (0.44) POLBLMNAALDH1A1L3MBTL1GAA
SCHEMBL8892065 0.77 PGK1 (0.39) POLBGALR2LMNAPGK1GLP1R

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