SCHEMBL3940692

SCHEMBL3940692

CC(CCN1C(=O)c2ccccc2C1C(=O)NCc1ccccc1Cl)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.57
TDP1 Q9NUW8 1/20 0.54
KCNA5 P22460 7/20 0.53
KCNH2 Q12809 2/20 0.52
TP53 P04637 1/20 0.50
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL3754213 0.90 KCNA5 (0.65) P2RX7TDP1KCNA5KCNH2TP53
SCHEMBL3942624 0.87 KCNA5 (0.67) TDP1KCNA5KCNH2KMT2A
SCHEMBL4154462 0.86 P2RX7 (0.61) P2RX7TDP1KCNA5KCNH2KMT2A
SCHEMBL3753805 0.85 KCNA5 (0.74) P2RX7TDP1KCNA5KCNH2TP53
SCHEMBL3754120 0.83 P2RX7 (0.59) P2RX7TDP1KCNA5KCNH2TP53
SCHEMBL3756454 0.81 P2RX7 (0.57) P2RX7TDP1KCNA5KCNH2TP53
SCHEMBL3946126 0.81 KMT2A (0.64) TDP1KCNA5KCNH2TP53KMT2A
SCHEMBL3752188 0.80 KCNA5 (0.59) P2RX7KCNA5TP53KMT2AHPGD
SCHEMBL3758883 0.79 KCNA5 (0.71) P2RX7KCNA5KCNH2TP53HPGD
SCHEMBL3751983 0.78 KCNA5 (0.58) P2RX7KCNA5KCNH2TP53KMT2A

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 4 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
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