SCHEMBL31554320

SCHEMBL31554320

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.43
▸ CHEK1 O14757 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL31554372 0.91 USP30 (0.43) USP30CHEK1CNR1CNR2KDM4E
SCHEMBL31554319 0.91 CHEK1 (0.44) USP30CHEK1CNR1CNR2KDM4E
SCHEMBL31554347 0.89 CHEK1 (0.49) USP30CHEK1
SCHEMBL31554330 0.88 CHEK1 (0.43) USP30CHEK1KDM4EMEN1MAPT
SCHEMBL31554336 0.88 RAB9A (0.51) USP30CHEK1CNR1CNR2MEN1
SCHEMBL31554339 0.88 BTK (0.40) USP30CHEK1CNR1CNR2JAK1
SCHEMBL31554334 0.87 CNR1 (0.42) USP30CNR1CNR2KDM4EMAPT
SCHEMBL31532654 0.86 USP30 (0.59) USP30CNR1CNR2
SCHEMBL31532575 0.86 USP30 (0.59) USP30CNR1CNR2
SCHEMBL31554391 0.85 CHEK1 (0.41) USP30CHEK1CNR1CNR2KDM4E

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