SCHEMBL31532568

SCHEMBL31532568

CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2sc(-c3ccc(F)c(F)c3)cc2N)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.53
▸ HDAC4 P56524 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ RIPK1 Q13546 1/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ PBK Q96KB5 1/20 0.44
▸ ANO1 Q5XXA6 2/20 0.43
▸ BTK Q06187 1/20 0.42
▸ ACKR3 P25106 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ FPR3 P25089 1/20 0.41
▸ FPR2 P25090 1/20 0.41

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
SCHEMBL31532571 1.00 USP30 (0.53) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL1564849 0.90 CNR1 (0.57) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532597 0.90 USP30 (0.52) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532630 0.90 USP30 (0.52) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532636 0.89 USP30 (0.59) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL1770908 0.89 USP30 (0.59) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532675 0.89 USP30 (0.59) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532576 0.88 USP30 (0.52) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532583 0.88 USP30 (0.52) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532617 0.88 USP30 (0.49) USP30HDAC4HDAC6CNR1CNR2

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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