SCHEMBL28782889

SCHEMBL28782889

CC(C)(CC(=O)C1c2ccccc2C(=O)N1Cc1cccs1)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
NPSR1 Q6W5P4 1/20 0.56
MCHR1 Q99705 1/20 0.56
LMNA P02545 1/20 0.53
KCNA5 P22460 11/20 0.47
KCNH2 Q12809 5/20 0.47
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL27755670 0.84 KCNA5 (0.67) KCNA5KCNH2
SCHEMBL27776327 0.83 KCNA5 (0.53) ALDH1A1KCNA5KCNH2MAPT
SCHEMBL27776326 0.78 TDP1 (0.51) ALDH1A1KCNA5KCNH2TDP1
SCHEMBL3746135 0.77 ALDH1A1 (0.65) ALDH1A1NPSR1MCHR1LMNAKCNA5
SCHEMBL27755697 0.77 TSHR (0.43) ALDH1A1NPSR1MCHR1KCNA5KCNH2
SCHEMBL3752503 0.75 ALDH1A1 (0.81) ALDH1A1NPSR1MCHR1LMNAKCNA5
SCHEMBL1618368 0.72 ALDH1A1 (1.00) ALDH1A1NPSR1MCHR1LMNAMAPT
SCHEMBL3750754 0.71 NPSR1 (1.00) ALDH1A1NPSR1MCHR1LMNAMAPT
SCHEMBL1619214 0.71 ALDH1A1 (0.62) ALDH1A1NPSR1MCHR1LMNAMAPT
SCHEMBL3760098 0.69 LMNA (1.00) ALDH1A1NPSR1MCHR1LMNAMAPT

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
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed