SCHEMBL3942929

SCHEMBL3942929

Cc1cc(CNC(=O)C2c3ccccc3C(=O)N2CC(F)Cc2ccccc2)no1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
KCNA5 P22460 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SCN9A Q15858 9/20 0.43
SCN5A Q14524 6/20 0.43
KCNH2 Q12809 5/20 0.43
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
P2RX7 Q99572 1/20 0.42

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
SCHEMBL3756367 0.83 KCNA5 (0.51) TDP1KCNA5ALDH1A1SCN9ASCN5A
SCHEMBL3750868 0.83 KCNA5 (0.56) TDP1KCNA5ALDH1A1SCN9ASCN5A
SCHEMBL3756691 0.80 KCNA5 (0.66) TDP1KCNA5ALDH1A1SCN9ASCN5A
SCHEMBL3939936 0.79 KCNA5 (0.52) TDP1KCNA5SCN9ASCN5AKCNH2
SCHEMBL13568314 0.76 SCN9A (0.69) KCNA5SCN9ASCN5AKCNH2
SCHEMBL3946131 0.70 KCNA5 (0.69) TDP1KCNA5ALDH1A1SCN9ASCN5A
SCHEMBL3757961 0.69 KCNA5 (0.61) TDP1KCNA5ALDH1A1SCN9ASCN5A
SCHEMBL3750023 0.69 KCNA5 (0.74) TDP1KCNA5SCN9ASCN5AKCNH2
SCHEMBL3755441 0.69 KCNA5 (0.59) TDP1KCNA5ALDH1A1SCN9ASCN5A
SCHEMBL4347580 0.69 EPHX2 (0.43) ALDH1A1

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