SCHEMBL366353

SCHEMBL366353

COC(=O)c1c2ccc(C(=O)NS(C)(=O)=O)cc2n2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.49
IDO1 P14902 2/20 0.45
SCN5A Q14524 6/20 0.44
SCN2B O60939 4/20 0.44
SCN1B Q07699 4/20 0.44
SCN1A P35498 3/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
ALDH1A1 P00352 1/20 0.43
G6PD P11413 1/20 0.43
PABPC1 P11940 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43

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
SCHEMBL366783 0.88 SCN9A (0.54) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL364264 0.86 MAPT (0.46) IDO1MEN1MAPTKMT2AUSP2
SCHEMBL364926 0.85 MAPT (0.49) IDO1MEN1MAPTKMT2AUSP2
SCHEMBL366487 0.85 MAPT (0.50) IDO1MEN1MAPTKMT2AUSP2
SCHEMBL366977 0.84 SCN9A (0.46) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL366140 0.84 MAPT (0.44) IDO1MEN1MAPTKMT2AUSP2
SCHEMBL364280 0.83 MAPT (0.47) IDO1MEN1MAPTKMT2AUSP2
SCHEMBL364338 0.83 MAPT (0.47) IDO1MEN1MAPTKMT2AUSP2
SCHEMBL366354 0.81 SCN9A (0.46) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL365825 0.81 IDO1 (0.48) IDO1MEN1MAPTKMT2AUSP2

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