SCHEMBL483569

SCHEMBL483569

Fc1ccccc1C(OC(c1ccc(Br)cc1)c1ccccc1F)c1ccc(Br)cc1.Fc1ccccc1COc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.48
PARP15 Q460N3 2/20 0.45
PARP10 Q53GL7 2/20 0.45
PARP14 Q460N5 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
SCN9A Q15858 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL29385396 0.83 MAOB (0.65) MAOBPARP15PARP10PARP14NPC1
SCHEMBL327420 0.83 IDO1 (0.51) NPC1RAB9AIDO1TDO2
SCHEMBL311630 0.83 MAOB (0.65) MAOBPARP15PARP10PARP14NPC1
SCHEMBL15132934 0.73 MAOB (0.59) MAOBPARP15PARP10PARP14NPC1
SCHEMBL12423201 0.70 MAOB (0.69) MAOBPARP15PARP10PARP14NPC1
SCHEMBL7979951 0.70 ADAM17 (0.43) MAOBPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL17644774 0.70 MAOB (0.68) MAOBPARP15PARP10PARP14NPC1
SCHEMBL20360954 0.70 MAOB (0.47) MAOBPARP15PARP10PARP14NPC1
SCHEMBL3625841 0.69 MAOB (0.67) MAOBPARP15PARP10PARP14NPC1
SCHEMBL6420385 0.69 MAOB (0.69) MAOBPARP15PARP10PARP14FNTA

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
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed