SCHEMBL6165837

SCHEMBL6165837

Cc1ccc(Oc2ccc(C=NNC(N)=O)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 4/20 0.73
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 4/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
GFER P55789 1/20 0.54
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAOA P21397 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL24000970 0.91 KMT2A (0.71) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL6162208 0.88 SCN4A (0.74) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL6163677 0.86 SCN4A (0.64) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL1105594 0.86 SCN4A (0.76) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL6165996 0.86 SCN4A (0.76) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL6164077 0.85 SCN4A (1.00) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL6166125 0.85 SCN4A (0.74) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL29405312 0.85 SCN4A (1.00) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL6163679 0.85 SCN4A (0.74) SCN4ASCN9AKMT2ANPC1RAB9A
SCHEMBL30320026 0.85 SCN4A (1.00) SCN4ASCN9AKMT2ANPC1RAB9A

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