SCHEMBL6010052

SCHEMBL6010052

CC(C)(C)OC(=O)N1CCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.54
PARP1 P09874 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
BRD4 O60885 1/20 0.46
BACE1 P56817 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
GABRA5 P31644 1/20 0.43
KDM1A O60341 1/20 0.42
ACKR3 P25106 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
SCHEMBL30349744 0.94 USP30 (0.52) USP30PARP1BRD4BACE1HDAC4
SCHEMBL29123195 0.93 CA1 (0.52) USP30PARP1CA1CA2BRD4
SCHEMBL29860886 0.93 CA1 (0.52) USP30PARP1CA1CA2BRD4
SCHEMBL2952653 0.93 CA1 (0.52) USP30PARP1CA1CA2BRD4
SCHEMBL25355246 0.90 BACE1 (0.46) USP30BRD4BACE1
SCHEMBL17997424 0.88 BACE1 (0.49) USP30PARP1CA1CA2BACE1
SCHEMBL30171776 0.88 BACE1 (0.49) USP30PARP1CA1CA2BACE1
SCHEMBL29625116 0.88 BACE1 (0.49) USP30PARP1CA1CA2BACE1
SCHEMBL3489490 0.87 HSD11B1 (0.50) USP30PARP1CA1CA2BRD4
SCHEMBL29959044 0.87 BACE1 (0.44) USP30BACE1

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-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO disclosed