SCHEMBL1160465

SCHEMBL1160465

CC(=O)c1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 8/20 0.60
KIF11 P52732 1/20 0.43
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B1 P14061 1/20 0.39
SSTR4 P31391 2/20 0.39
MAOB P27338 2/20 0.37
SYK P43405 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
XDH P47989 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL12909209 0.81 SCN5A (0.68) SCN5AMAPTSMN1; SMN2SSTR4
SCHEMBL937831 0.80 SCN5A (0.69) SCN5AKIF11MAPT
SCHEMBL12945003 0.80 SCN5A (0.69) SCN5AKIF11SSTR4HPGD
SCHEMBL932813 0.78 SCN5A (0.75) SCN5ASMN1; SMN2HPGD
SCHEMBL20209249 0.77 SCN5A (0.62) SCN5ASSTR4
SCHEMBL936530 0.77 SCN5A (0.66) SCN5AKIF11MAPTSMN1; SMN2HSD17B1
SCHEMBL937557 0.69 SCN5A (0.59) SCN5AMAPTSYK
SCHEMBL23499863 0.69 KIF11 (0.50) KIF11MAPTSMN1; SMN2HSD17B1SYK
SCHEMBL936494 0.69 SCN5A (0.54) SCN5ASSTR4
SCHEMBL938447 0.68 SCN5A (0.54) SCN5ASSTR4MAOB

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-2464645-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Palo Alto, Inc. (US) 2012-06-20 EP claimed
WO-2011014462-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-02-03 WO claimed