SCHEMBL6163679

SCHEMBL6163679

NC(=O)NN=Cc1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.74
SCN9A Q15858 1/20 0.74
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
RECQL P46063 1/20 0.54
MAPT P10636 5/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 3/20 0.53
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 2/20 0.51
GAA P10253 2/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL15718835 0.91 KMT2A (0.63) SCN4ASCN9AKMT2AMEN1LMNA
SCHEMBL15718834 0.91 KMT2A (0.63) SCN4ASCN9AKMT2AMEN1LMNA
SCHEMBL6165996 0.86 SCN4A (0.76) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL1105594 0.86 SCN4A (0.76) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6162208 0.85 SCN4A (0.74) SCN4ASCN9AKMT2AMEN1LMNA
SCHEMBL6164077 0.85 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL29405312 0.85 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6165837 0.85 SCN4A (0.74) SCN4ASCN9AKMT2AMEN1LMNA
SCHEMBL6166125 0.85 SCN4A (0.74) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL30320026 0.85 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986540-B1 THE USE OF CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AS SODIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2005-02-16 EP claimed