SCHEMBL31532672

SCHEMBL31532672

CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2sc(-c3ccc(-c4ccncc4)cc3)cc2N)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 8/20 0.56
▸ HDAC4 P56524 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ PARP1 P09874 2/20 0.48
▸ PBK Q96KB5 1/20 0.47
▸ ANO1 Q5XXA6 2/20 0.45
▸ BTK Q06187 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.44
▸ ACKR3 P25106 1/20 0.43
▸ GABRA5 P31644 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 0.96 USP30 (0.61) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL1564849 0.90 CNR1 (0.57) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532508 0.89 USP30 (0.56) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532608 0.89 USP30 (0.56) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532581 0.88 USP30 (0.49) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532568 0.87 USP30 (0.53) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532571 0.87 USP30 (0.53) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532575 0.86 USP30 (0.59) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532587 0.86 USP30 (0.59) USP30HDAC4HDAC6CNR1CNR2
SCHEMBL31532654 0.86 USP30 (0.59) 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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