SCHEMBL31532575

SCHEMBL31532575

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 9/20 0.59
▸ PARP1 P09874 2/20 0.48
▸ PBK Q96KB5 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ACKR3 P25106 1/20 0.47
▸ GABRA5 P31644 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ FPR3 P25089 1/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ ANO1 Q5XXA6 1/20 0.44
▸ BTK Q06187 1/20 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
SCHEMBL31532654 1.00 USP30 (0.59) USP30PARP1PBKHDAC4HDAC6
SCHEMBL31532587 0.90 USP30 (0.59) USP30PARP1PBKHDAC4HDAC6
SCHEMBL1770908 0.90 USP30 (0.59) USP30PARP1PBKHDAC4HDAC6
SCHEMBL31532675 0.90 USP30 (0.59) USP30PARP1PBKHDAC4HDAC6
SCHEMBL31532636 0.90 USP30 (0.59) USP30PARP1PBKHDAC4HDAC6
SCHEMBL31532635 0.89 USP30 (0.58) USP30PARP1ACKR3BTK
SCHEMBL31532526 0.89 USP30 (0.58) USP30PARP1ACKR3BTK
SCHEMBL1564849 0.88 CNR1 (0.57) USP30PARP1PBKHDAC4HDAC6
SCHEMBL31532663 0.88 USP30 (0.61) USP30PARP1PBKHDAC4HDAC6
SCHEMBL31554317 0.88 CHEK1 (0.45) USP30BTK

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
Send feedback