SCHEMBL366783

SCHEMBL366783

CS(=O)(=O)NC(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.54
SCN5A Q14524 6/20 0.48
SCN2B O60939 5/20 0.48
SCN1B Q07699 5/20 0.48
SCN1A P35498 4/20 0.48
MYC P01106 1/20 0.41
P4HTM Q9NXG6 1/20 0.40

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
SCHEMBL366353 0.88 SCN9A (0.49) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL366977 0.86 SCN9A (0.46) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL366370 0.85 EGFR (0.43)
SCHEMBL365934 0.82 KDM4E (0.45)
SCHEMBL366875 0.81 EGFR (0.42)
SCHEMBL366784 0.81 SCN9A (0.50) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL366810 0.79 PTGS2 (0.45)
SCHEMBL367746 0.79 EGFR (0.43)
SCHEMBL365908 0.79 KDM4E (0.45)
SCHEMBL31060260 0.79 KDM4E (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed