SCHEMBL31532508

SCHEMBL31532508

CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2sc(-c3cccnc3)cc2N)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.56
▸ HDAC4 P56524 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ BTK Q06187 2/20 0.46
▸ PBK Q96KB5 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.45
▸ ACKR3 P25106 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.43
▸ KIT P10721 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
SCHEMBL31532663 0.90 USP30 (0.61) USP30HDAC4HDAC6PARP1GABRA5
SCHEMBL31532672 0.89 USP30 (0.56) USP30HDAC4HDAC6PARP1GABRA5
SCHEMBL31532676 0.89 USP30 (0.55) USP30PARP1GABRA5BTK
SCHEMBL31532675 0.87 USP30 (0.59) USP30HDAC4HDAC6PARP1GABRA5
SCHEMBL1770908 0.87 USP30 (0.59) USP30HDAC4HDAC6PARP1GABRA5
SCHEMBL31532636 0.87 USP30 (0.59) USP30HDAC4HDAC6PARP1GABRA5
SCHEMBL31532575 0.87 USP30 (0.59) USP30HDAC4HDAC6PARP1GABRA5
SCHEMBL31532587 0.87 USP30 (0.59) USP30HDAC4HDAC6PARP1GABRA5
SCHEMBL31532654 0.87 USP30 (0.59) USP30HDAC4HDAC6PARP1GABRA5
SCHEMBL1564849 0.85 CNR1 (0.57) USP30HDAC4HDAC6PARP1CNR1

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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