SCHEMBL5550461

SCHEMBL5550461

Cn1c(=O)c(Nc2ccc(NC(=O)Oc3ccon3)cc2)nc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 13/20 0.71
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TP53 P04637 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ TNKS O95271 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6371759 0.83 PYGM (1.00) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5549678 0.80 PYGM (0.71) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5545532 0.79 PYGM (1.00) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5545726 0.77 PYGM (0.72) PYGMMAPT
SCHEMBL6371489 0.76 PYGM (1.00) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5550427 0.74 PYGM (0.62) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5549650 0.73 PYGM (0.66) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5549648 0.73 PYGM (0.64) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL11250840 0.73 ALDH1A1 (0.47) KDM4ESMN1; SMN2TP53MAPTMEN1
SCHEMBL6372041 0.73 PYGM (1.00) PYGMKDM4ESMN1; SMN2TP53MAPT

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-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 — — EP claimed
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