SCHEMBL6164077

SCHEMBL6164077

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 1.00
SCN9A Q15858 1/20 1.00
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
RAB9A P51151 4/20 0.58
MAPT P10636 2/20 0.56
KMT2A Q03164 5/20 0.54
CYP1A2 P05177 2/20 0.54
TAAR1 Q96RJ0 1/20 0.52
MEN1 O00255 3/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL29405312 1.00 SCN4A (1.00) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL30320026 1.00 SCN4A (1.00) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL17560984 0.91 SCN4A (0.82) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL17560986 0.91 SCN4A (0.82) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL6165996 0.86 SCN4A (0.76) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL1105594 0.86 SCN4A (0.76) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL6165867 0.86 SCN4A (0.75) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL6163664 0.85 SCN4A (0.74) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL6166125 0.85 SCN4A (0.74) SCN4ASCN9ANPC1SMN1; SMN2RAB9A
SCHEMBL6162208 0.85 SCN4A (0.74) SCN4ASCN9ANPC1SMN1; SMN2RAB9A

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
EP-1239844-B1 PROCESS FOR PRODUCING NANOMETER PARTICLES BY FLUID BED SPRAY-DRYING KERKHOF NICHOLAS J (US) 2005-06-08 EP claimed
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