SCHEMBL4379434

SCHEMBL4379434

O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
MMP12 P39900 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CNR1 P21554 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL755709 0.87 HDAC6 (0.39) HDAC6MMP12SMN1; SMN2CNR1NPC1
SCHEMBL1002067 0.85 HDAC6 (0.39) HDAC6SMN1; SMN2CNR1NPC1RAB9A
Hydrochloric Acid SCHEMBL7612117 0.85 HDAC6 (0.38) HDAC6SMN1; SMN2CNR1NPC1RAB9A
Iodide SCHEMBL7997291 0.85 HDAC6 (0.38) HDAC6MMP12SMN1; SMN2CNR1NPC1
Bromide SCHEMBL4678013 0.85 HDAC6 (0.38) HDAC6MMP12SMN1; SMN2CNR1NPC1
SCHEMBL3500721 0.85 HDAC6 (0.38) HDAC6MMP12SMN1; SMN2CNR1NPC1
SCHEMBL31314886 0.84 HDAC6 (0.38) HDAC6SMN1; SMN2CNR1NPC1RAB9A
SCHEMBL31303612 0.84 HDAC6 (0.38) HDAC6SMN1; SMN2CNR1NPC1RAB9A
SCHEMBL31314895 0.84 HDAC6 (0.38) HDAC6SMN1; SMN2CNR1NPC1RAB9A
Fluoride SCHEMBL124319 0.84 HDAC6 (0.37) HDAC6SMN1; SMN2CNR1NPC1RAB9A

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-2118169-A1 CURABLE COMPOSITION Huntsman Advanced Materials (Switzerland) GmbH (CH) 2009-11-18 EP disclosed
WO-2008110564-A1 CURABLE COMPOSITION HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2008-09-18 WO disclosed