SCHEMBL8316457

SCHEMBL8316457

OC(c1ccccc1)c1nc2cnccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ SLC2A1 P11166 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL30601597 0.82 MLKL (0.77) MLKLSMN1; SMN2IDO1SLC2A1GAA
SCHEMBL899731 0.82 MLKL (0.77) MLKLSMN1; SMN2IDO1SLC2A1GAA
Hydrochloric Acid SCHEMBL28259019 0.81 MLKL (0.74) MLKLSMN1; SMN2IDO1SLC2A1GAA
SCHEMBL3808816 0.79 KMT2A (0.44) MLKLSMN1; SMN2IDO1KDM4EALDH1A1
SCHEMBL18269214 0.75 MLKL (0.54) MLKLIDO1SLC2A1GAAKDM4E
SCHEMBL18269212 0.75 MLKL (0.57) MLKLSMN1; SMN2IDO1SLC2A1GAA
SCHEMBL18259723 0.75 MLKL (0.69) MLKLSMN1; SMN2IDO1SLC2A1GAA
SCHEMBL1106417 0.74 KDM4E (0.50) MLKLSMN1; SMN2IDO1KDM4EALDH1A1
SCHEMBL21120174 0.73 MLKL (0.51) MLKLIDO1SLC2A1GAAKDM4E
SCHEMBL18269213 0.73 MLKL (0.55) MLKLIDO1SLC2A1GAAKDM4E

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
EP-0590428-B1 Azaquinoxalines, process for their preparation, and their use HOECHST AG (DE) 1999-12-15 — — EP disclosed
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