SCHEMBL3843877

SCHEMBL3843877

CC(C)(C)[N+]1(CCn2c(=O)ccc3ccc(C#N)cc32)CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
SCN7A Q01118 3/20 0.41
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
CCR9 P51686 2/20 0.36
BRD1 O95696 3/20 0.33
BRPF1 P55201 3/20 0.33
BRPF3 Q9ULD4 2/20 0.33
BRD4 O60885 2/20 0.33
BRD9 Q9H8M2 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
TOP2A P11388 1/20 0.32

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
SCHEMBL3839527 0.83 KCNH2 (0.40) KCNH2
SCHEMBL3846427 0.83 HDAC1 (0.36) KCNH2
SCHEMBL4779522 0.78 SCN7A (0.58) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL27759451 0.74 KCNH2 (0.47) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL706182 0.72 KCNH2 (0.55) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3842134 0.70
SCHEMBL19212781 0.70 KCNH2 (0.45) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL19211607 0.69 KCNH2 (0.43) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL708277 0.68 KCNH2 (0.59) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4789884 0.68 KCNH2 (0.66) KCNH2SCN7ASCN5ASCN2ASCN8A

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-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed