SCHEMBL6163664

SCHEMBL6163664

NC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.74
SCN9A Q15858 1/20 0.74
MIF P14174 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GRK2 P25098 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6164026 0.85 SCN9A (0.63) SCN4ASCN9AKMT2AMEN1ALDH1A1
SCHEMBL29405312 0.85 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6164077 0.85 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL30320026 0.85 SCN4A (1.00) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL7921348 0.79 SCN9A (0.65) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL17560984 0.79 SCN4A (0.82) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL17560986 0.79 SCN4A (0.82) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL6142385 0.78 PDE4D (0.47) SCN4ASCN9AMIFCRHBPCRHR2
SCHEMBL6165867 0.78 SCN4A (0.75) SCN4ASCN9AKMT2AMEN1NPC1
SCHEMBL17067808 0.78 SCN4A (0.57) 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