SCHEMBL3949417

SCHEMBL3949417

CC(C)(C)Cc1ccccc1-c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.45
ALOX5AP P20292 10/20 0.40
FEN1 P39748 10/20 0.40
KCNH2 Q12809 1/20 0.39
MAOB P27338 1/20 0.37
RIPK1 Q13546 1/20 0.37
STAT3 P40763 1/20 0.36
BDKRB1 P46663 1/20 0.36
PDK2 Q15119 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL18014696 0.84 KIF11 (0.47)
SCHEMBL23347204 0.81 ALOX5AP (0.56) KCNA5ALOX5APFEN1MAOBSTAT3
SCHEMBL13872997 0.81 PTGS2 (0.43) KCNA5KCNH2RIPK1PTGS2
SCHEMBL28936838 0.78 ALOX5AP (0.44) KCNA5ALOX5APFEN1KCNH2MAOB
SCHEMBL18014704 0.77 CYP2C19 (0.44) RIPK1PTGS2
SCHEMBL3756934 0.77 DPP4 (0.57) KCNA5ALOX5APFEN1MAOB
SCHEMBL22910540 0.77 LTA4H (0.45) KCNA5ALOX5APFEN1KCNH2STAT3
SCHEMBL6048497 0.77 SLC6A4 (0.54) KCNH2
SCHEMBL5336630 0.76 DPP4 (0.54) KCNA5KCNH2RIPK1
Hydrochloric Acid SCHEMBL6048489 0.75 SLC6A4 (0.52) ALOX5APFEN1KCNH2

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-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed