SCHEMBL3942591

SCHEMBL3942591

CCNC(=O)C1c2cc(Cl)ccc2C(=O)N1[C@H](C)c1ccccc1I

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.45
P2RX7 Q99572 3/20 0.42
TSHR P16473 2/20 0.41
KCNH2 Q12809 2/20 0.40
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FDFT1 P37268 1/20 0.35
PTGES O14684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRS3 P32247 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
SCN9A Q15858 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL3938639 0.89 TSHR (0.41) KCNA5P2RX7TSHRKCNH2HTT
SCHEMBL3758325 0.86 KCNA5 (0.61) KCNA5P2RX7TSHRKCNH2HTT
SCHEMBL3750444 0.81 KCNA5 (0.48) KCNA5P2RX7TSHRKCNH2HTT
SCHEMBL3949423 0.79 KCNA5 (0.57) KCNA5TSHRKCNH2HTTSCN9A
SCHEMBL3754228 0.76 KCNA5 (0.77) KCNA5P2RX7KCNH2PTGESBRS3
SCHEMBL3745315 0.76 KCNA5 (0.77) KCNA5P2RX7KCNH2PTGESBRS3
SCHEMBL3749096 0.74 KCNA5 (0.55) KCNA5P2RX7TSHRKCNH2HTT
SCHEMBL3751379 0.73 KCNA5 (0.54) KCNA5P2RX7TSHRKCNH2HTT
SCHEMBL3754303 0.72 KCNA5 (0.54) KCNA5P2RX7TSHRKCNH2HTT
SCHEMBL3751700 0.72 KCNA5 (0.53) KCNA5P2RX7TSHRKCNH2HTT

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 claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed