SCHEMBL31532617

SCHEMBL31532617

CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2sc(-c3ccc(F)cc3F)cc2N)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.49
▸ HDAC4 P56524 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CHEK1 O14757 4/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ PBK Q96KB5 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ DGAT2 Q96PD7 2/20 0.42
▸ BTK Q06187 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ FPR3 P25089 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL31532642 1.00 USP30 (0.49) USP30HDAC4HDAC6CHEK1PARP1
SCHEMBL31532665 0.90 USP30 (0.47) USP30HDAC4HDAC6PARP1PBK
SCHEMBL31532671 0.89 CHEK1 (0.62) USP30HDAC4HDAC6CHEK1PARP1
SCHEMBL31532633 0.89 CHEK1 (0.62) USP30HDAC4HDAC6CHEK1PARP1
SCHEMBL31532568 0.88 USP30 (0.53) USP30HDAC4HDAC6PARP1PBK
SCHEMBL31532571 0.88 USP30 (0.53) USP30HDAC4HDAC6PARP1PBK
SCHEMBL31532675 0.87 USP30 (0.59) USP30HDAC4HDAC6CHEK1PARP1
SCHEMBL31532636 0.87 USP30 (0.59) USP30HDAC4HDAC6CHEK1PARP1
SCHEMBL1770908 0.87 USP30 (0.59) USP30HDAC4HDAC6CHEK1PARP1
SCHEMBL31532630 0.86 USP30 (0.52) USP30HDAC4HDAC6CHEK1PARP1

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
WO-2025099238-A1 COMPOUNDS FOR USE IN THE TREATMENT OF GASTROINTESTINAL STROMAL TUMOR (GIST) Universität Duisburg-Essen (DE) 2025-05-15 — — WO disclosed
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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