SCHEMBL31532663

SCHEMBL31532663

CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2sc(-c3cccc(-c4ccncc4)c3)cc2N)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 8/20 0.61
▸ PARP1 P09874 2/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ PBK Q96KB5 1/20 0.46
▸ ACKR3 P25106 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ BTK Q06187 3/20 0.45
▸ GABRA5 P31644 1/20 0.44
▸ ANO1 Q5XXA6 2/20 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
SCHEMBL31532672 0.96 USP30 (0.56) USP30PARP1HDAC4HDAC6PBK
SCHEMBL31532508 0.90 USP30 (0.56) USP30PARP1HDAC4HDAC6PBK
SCHEMBL31532589 0.89 USP30 (0.60) USP30PARP1ACKR3BTK
SCHEMBL31532575 0.88 USP30 (0.59) USP30PARP1HDAC4HDAC6PBK
SCHEMBL31532675 0.88 USP30 (0.59) USP30PARP1HDAC4HDAC6PBK
SCHEMBL1770908 0.88 USP30 (0.59) USP30PARP1HDAC4HDAC6PBK
SCHEMBL31532636 0.88 USP30 (0.59) USP30PARP1HDAC4HDAC6PBK
SCHEMBL31532587 0.88 USP30 (0.59) USP30PARP1HDAC4HDAC6PBK
SCHEMBL31532654 0.88 USP30 (0.59) USP30PARP1HDAC4HDAC6PBK
SCHEMBL1564849 0.86 CNR1 (0.57) USP30PARP1HDAC4HDAC6PBK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4552639-A1 COMPOUNDS FOR USE IN THE TREATMENT OF GASTROINTESTINAL STROMAL TUMOR (GIST) Universität Duisburg-Essen (DE) 2025-05-14 — — EP disclosed
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