SCHEMBL3941925

SCHEMBL3941925

COc1ccc(CCNC(=O)C2c3ccccc3C(=O)N2CCc2ccccc2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.80
TP53 P04637 3/20 0.75
ALDH1A1 P00352 6/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
POLB P06746 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SCN9A Q15858 1/20 0.53
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
GAA P10253 1/20 0.51
CASP6 P55212 1/20 0.51

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
SCHEMBL3756806 0.89 ALDH1A1 (0.66) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3942840 0.88 ALDH1A1 (0.69) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL16797450 0.85 TP53 (0.76) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3762790 0.84 KMT2A (0.60) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3753733 0.84 ALDH1A1 (0.62) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3755999 0.82 ALDH1A1 (0.86) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3758084 0.81 ALDH1A1 (0.67) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3753631 0.81 KMT2A (0.69) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3750606 0.81 ALDH1A1 (0.60) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3749120 0.81 SCN9A (0.55) KMT2AALDH1A1LMNASMN1; SMN2SCN9A

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