SCHEMBL3945362

SCHEMBL3945362

O=C(NCCc1ccccc1)C1c2cc(F)ccc2C(=O)N1CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
SCN9A Q15858 8/20 0.46
KCNH2 Q12809 5/20 0.46
SCN5A Q14524 6/20 0.46
TP53 P04637 1/20 0.46
KCNA5 P22460 2/20 0.45

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
SCHEMBL3745741 0.89 SCN9A (0.55) KMT2ASCN9AKCNH2SCN5AKCNA5
SCHEMBL3946919 0.88 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL3942840 0.86 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2KMT2ASCN9A
SCHEMBL3750116 0.86 SCN9A (0.52) KMT2ASCN9AKCNH2SCN5AKCNA5
SCHEMBL3745536 0.83 SCN9A (0.46) KMT2ASCN9AKCNH2SCN5AKCNA5
SCHEMBL3759970 0.80 SCN9A (0.65) SCN9AKCNH2SCN5AKCNA5
SCHEMBL3753733 0.80 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2KMT2ASCN9A
SCHEMBL3758084 0.80 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2KMT2ASCN9A
SCHEMBL3760109 0.80 KCNA5 (0.45) SCN9AKCNH2SCN5AKCNA5
SCHEMBL3761072 0.79 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2KCNH2TP53

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