SCHEMBL3942840

SCHEMBL3942840

O=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1CCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 1/20 0.59
TP53 P04637 1/20 0.55
SCN9A Q15858 11/20 0.55
SCN5A Q14524 9/20 0.55
KCNH2 Q12809 8/20 0.55
TDP1 Q9NUW8 1/20 0.52
KCNQ2 O43526 1/20 0.48
KCNA5 P22460 1/20 0.48
SCN2A Q99250 1/20 0.48

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
SCHEMBL3753733 0.93 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3758084 0.93 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3758129 0.90 ALDH1A1 (0.76) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3751057 0.90 SCN9A (0.66) ALDH1A1SCN9ASCN5AKCNH2TDP1
SCHEMBL3941925 0.88 KMT2A (0.80) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3945362 0.86 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3756806 0.86 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3946126 0.86 KMT2A (0.64) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3749120 0.85 SCN9A (0.55) ALDH1A1LMNASMN1; SMN2KMT2ASCN9A
SCHEMBL3759970 0.84 SCN9A (0.65) SCN9ASCN5AKCNH2KCNQ2KCNA5

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