SCHEMBL27677393

SCHEMBL27677393

CC(C)(C)C(=O)ON1CCCC(NC(=O)c2cc(-c3ccccc3)sc2N)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.54
▸ ALOX15 P16050 7/20 0.47
▸ USP30 Q70CQ3 1/20 0.47
▸ GAA P10253 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CDK2AP1 O14519 1/20 0.43

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
SCHEMBL27677400 1.00 CHEK1 (0.54) CHEK1ALOX15USP30GAAMAPT
SCHEMBL1563670 0.84 USP30 (0.68) CHEK1ALOX15USP30GAAMAPT
SCHEMBL1564584 0.81 USP30 (0.64) CHEK1ALOX15USP30GAAMAPT
SCHEMBL28788213 0.81 CHEK1 (0.47) CHEK1USP30MAPTMEN1ALDH1A1
SCHEMBL5550850 0.81 CHEK1 (0.59) CHEK1ALOX15USP30GAAMAPT
SCHEMBL27677399 0.79 MAPT (0.47) CHEK1GAAMAPTGFERMEN1
SCHEMBL5554697 0.78 CHEK1 (0.56) CHEK1ALOX15GAAMAPTGFER
SCHEMBL27819440 0.76 DRD4 (0.42) MEN1ALDH1A1HPGDKMT2A
SCHEMBL1563673 0.73 GAA (0.48) CHEK1ALOX15GAAMAPTGFER
SCHEMBL27657374 0.73 CHEK1 (0.71) CHEK1USP30CDK2AP1

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-100584840-C Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB 2010-01-27 — — CN disclosed
CN-1922172-A Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB (SE) 2007-02-28 — — CN disclosed
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