SCHEMBL366978

SCHEMBL366978

CC(=O)c1ccc2c(C(=O)NS(C)(=O)=O)c3ccccc3n2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.45
SCN2B O60939 9/20 0.45
SCN1B Q07699 9/20 0.45
SCN5A Q14524 8/20 0.45
SCN1A P35498 7/20 0.45
MYC P01106 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL365441 0.88 ALDH1A1 (0.40) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL366784 0.85 SCN9A (0.50) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL366253 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGD
SCHEMBL365520 0.84 POLB (0.46) ALDH1A1KDM4EHPGD
SCHEMBL366210 0.84 HPGD (0.47) ALDH1A1KDM4EHPGD
SCHEMBL364816 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHPGD
SCHEMBL366354 0.83 SCN9A (0.46) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL367569 0.82 SRC (0.46) ALDH1A1KDM4EHPGD
SCHEMBL367330 0.81 EGFR (0.46) ALDH1A1KDM4EHPGD
SCHEMBL366383 0.81 HPGD (0.40) KDM4EHPGD

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