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Sugi Predict / Compounds / SCHEMBL4566290

SCHEMBL4566290

SCHEMBL4566290

CCCCNC(=O)C1(OC(=O)c2ccccc2C=O)c2ccccc2C(=O)N1CC(C)Cc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 17/20 0.37
▸ TP53 P04637 7/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ KCNA3 P22001 1/20 0.34

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
SCHEMBL3753545 0.68 KCNA5 (0.56) MDM2TP53MEN1KMT2AKCNA5
SCHEMBL3751626 0.61 KCNA5 (0.47) MDM2TP53MEN1KMT2AKCNA5
SCHEMBL3750562 0.61 KCNA5 (0.47) MDM2TP53MEN1KMT2AKCNA5
SCHEMBL3756429 0.61 KCNA5 (0.47) MDM2TP53MEN1KMT2AKCNA5
SCHEMBL2665746 0.60 TSHR (0.73) —
SCHEMBL19441240 0.58 HPGD (0.47) MEN1KMT2A
SCHEMBL8174236 0.57 NAAA (0.67) —
SCHEMBL19441193 0.56 HDAC3 (0.41) MEN1KMT2A
SCHEMBL3756729 0.56 ALDH1A1 (0.40) MDM2TP53MEN1KMT2AKCNA5
SCHEMBL1826342 0.56 MDM2 (1.00) MDM2TP53

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