SCHEMBL6163677

SCHEMBL6163677

Cc1cccc(Oc2ccc(C=NNC(N)=O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.64
SCN9A Q15858 1/20 0.64
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 6/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
XBP1 P17861 1/20 0.54
KDM4E B2RXH2 1/20 0.53
GRK2 P25098 1/20 0.51
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL6165837 0.86 SCN4A (0.74) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6165996 0.85 SCN4A (0.76) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL1105594 0.85 SCN4A (0.76) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6162208 0.81 SCN4A (0.74) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6165867 0.79 SCN4A (0.75) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6166125 0.78 SCN4A (0.74) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6164077 0.78 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL29405312 0.78 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL30320026 0.78 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6163679 0.78 SCN4A (0.74) 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