SCHEMBL366354

SCHEMBL366354

COC(=O)c1c2ccccc2n2cc(C(=O)NS(C)(=O)=O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.46
SCN2B O60939 5/20 0.46
SCN1B Q07699 5/20 0.46
SCN5A Q14524 4/20 0.46
SCN1A P35498 4/20 0.46
NR4A2 P43354 1/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 3/20 0.42
SRC P12931 3/20 0.41
EGFR P00533 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
PTGER4 P35408 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
SCHEMBL366784 0.88 SCN9A (0.50) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL364265 0.85 NR4A2 (0.46) NR4A2KMT2AMEN1SRCEGFR
SCHEMBL364927 0.85 SRC (0.51) NR4A2KMT2AMEN1SRCEGFR
SCHEMBL366488 0.84 NR4A2 (0.45) NR4A2KMT2AMEN1SRCEGFR
SCHEMBL366978 0.83 SCN9A (0.45) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL366141 0.83 NR4A2 (0.44) NR4A2KMT2AMEN1SRCEGFR
SCHEMBL364281 0.82 NR4A2 (0.48) NR4A2KMT2AMEN1SRCEGFR
SCHEMBL364339 0.82 KMT2A (0.49) NR4A2KMT2AMEN1SRCEGFR
SCHEMBL366353 0.81 SCN9A (0.49) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL365826 0.80 KMT2A (0.48) NR4A2KMT2AMEN1SRCEGFR

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed