SCHEMBL28763401

SCHEMBL28763401

CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc(-c3ccccc3)sc2NN(N)C=O)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.60
▸ CHEK1 O14757 7/20 0.53
▸ ACKR3 P25106 1/20 0.48
▸ PARP1 P09874 2/20 0.48
▸ PBK Q96KB5 1/20 0.45
▸ ANO1 Q5XXA6 1/20 0.44
▸ GABRA5 P31644 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CDK2AP1 O14519 1/20 0.42

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
SCHEMBL1562834 0.86 CHEK1 (0.71) USP30CHEK1PARP1CDK2AP1
SCHEMBL27657374 0.86 CHEK1 (0.71) USP30CHEK1PARP1CDK2AP1
SCHEMBL1563670 0.85 USP30 (0.68) USP30CHEK1ACKR3PARP1PBK
SCHEMBL1563523 0.85 USP30 (0.63) USP30CHEK1ACKR3PARP1PBK
SCHEMBL1563534 0.84 CHEK1 (0.68) USP30CHEK1CDK2AP1
SCHEMBL1564584 0.82 USP30 (0.64) USP30CHEK1ACKR3PARP1PBK
SCHEMBL4991807 0.79 CHEK1 (0.61) USP30CHEK1PARP1CDK2AP1
SCHEMBL1562875 0.79 USP30 (0.57) USP30CHEK1ACKR3PARP1PBK
SCHEMBL4219757 0.77 CHEK1 (0.59) USP30CHEK1PARP1CDK2AP1
SCHEMBL4994947 0.77 CHEK1 (0.59) USP30CHEK1PARP1CDK2AP1

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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