SCHEMBL8891999

SCHEMBL8891999

CN(C)c1cc2nc(NS(C)(=O)=O)c(Cl)nc2cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
GALR2 O43603 1/20 0.43
LMNA P02545 1/20 0.43
GLP1R P43220 1/20 0.43
PGK1 P00558 1/20 0.42
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HTT P42858 2/20 0.39
EGFR P00533 1/20 0.39
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
RXFP1 Q9HBX9 5/20 0.36
PIN1 Q13526 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
VCAM1 P19320 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCAR3 P49019 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
SCHEMBL8893491 0.85 PGK1 (0.59) POLBGALR2LMNAGLP1RPGK1
SCHEMBL8893038 0.84 POLB (0.47) POLBGALR2LMNAGLP1RPGK1
SCHEMBL8893002 0.83 POLB (0.45) POLBGALR2LMNAGLP1RPGK1
SCHEMBL8891980 0.82 POLB (0.46) POLBGALR2LMNAGLP1RPGK1
SCHEMBL8892839 0.81 PGK1 (0.45) POLBGALR2LMNAGLP1RPGK1
SCHEMBL8892065 0.78 PGK1 (0.39) POLBGALR2LMNAGLP1RPGK1
SCHEMBL8891651 0.77 LMNA (0.40) POLBGALR2LMNAGLP1RPGK1
SCHEMBL8892306 0.76 GUCY1B2 (0.50) POLBLMNAALDH1A1KDM4EHTT
SCHEMBL8892240 0.75 PDE7A (0.51) POLBGALR2LMNAGLP1RPGK1
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