SCHEMBL366977

SCHEMBL366977

CC(=O)c1ccc2c(C(=O)NS(C)(=O)=O)c3ccccn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.46
SCN5A Q14524 3/20 0.41
SCN2B O60939 3/20 0.41
SCN1B Q07699 3/20 0.41
SCN1A P35498 2/20 0.41
BRD9 Q9H8M2 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38

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
SCHEMBL365440 0.88 MAPT (0.41) SCN9ASCN5ABRD9BAZ2BBAZ2A
SCHEMBL366783 0.86 SCN9A (0.54) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL366252 0.85 ALDH1A1 (0.39) SCN9ABRD9BAZ2BBAZ2AALDH1A1
SCHEMBL366209 0.85 HPGD (0.46) SCN9ABRD9BAZ2BBAZ2AALDH1A1
SCHEMBL365519 0.85 KMT2A (0.45) MEN1MAPTKMT2AHPGD
SCHEMBL364815 0.84 PTPN1 (0.39) BRD9BAZ2BBAZ2AALDH1A1KDM4E
SCHEMBL366353 0.84 SCN9A (0.49) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL367568 0.83 ALDH1A1 (0.44) BRD9BAZ2BBAZ2AALDH1A1KDM4E
SCHEMBL365931 0.83 MAPT (0.47) ALDH1A1MAPTHPGD
SCHEMBL367329 0.82 BAZ2B (0.47) BRD9BAZ2BBAZ2AALDH1A1KDM4E

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