SCHEMBL11087569

SCHEMBL11087569

Cn1c(=O)c2c(C(=O)O)nc(O)n2c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.45
DAO P14920 1/20 0.42
ADORA1 P30542 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ADORA2B P29275 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.39
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2783065 0.71 ALDH1A1 (0.59) HDAC6ALDH1A1KDM4EHPGDGAA
SCHEMBL29724622 0.71 ALDH1A1 (0.59) HDAC6ALDH1A1KDM4EHPGDGAA
SCHEMBL11083836 0.71 PLK1 (0.40) ADORA3ADORA2BALDH1A1KDM4EHPGD
SCHEMBL4201351 0.69 TP53 (0.42) ADORA3ALDH1A1KDM4EHPGDGAA
SCHEMBL11090049 0.68 GABRA5 (0.49) ADORA3DAOADORA1ADORA2BALDH1A1
SCHEMBL11084726 0.68 ADORA3 (0.52) ADORA3ALDH1A1KDM4EHPGDGAA
SCHEMBL18691788 0.68 KMT2A (0.44) ADORA3HDAC6ALDH1A1KDM4EHPGD
SCHEMBL11403965 0.67 ADORA3 (0.46) ADORA3DAOHDAC6ALDH1A1KDM4E
SCHEMBL31093975 0.66 GABRA5 (0.55) ADORA3DAOADORA1ALDH1A1KDM4E
SCHEMBL1278798 0.66 GABRA5 (0.55) ADORA3DAOADORA1ALDH1A1KDM4E

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
US-4440929-A Imidazoquinoxaline compounds USV PHARMACEUTICAL CORPORATION (US) 1984-04-03 US disclosed