SCHEMBL31284034

SCHEMBL31284034

O=C(O)CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S

nearest known ligand 0.92

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 6/20 0.92
CTDSP1 Q9GZU7 3/20 0.79
DUSP3 P51452 2/20 0.79
MAPT P10636 1/20 0.79
MCL1 Q07820 1/20 0.79
PTGES O14684 1/20 0.78
KAT2B Q92831 5/20 0.75
CREBBP Q92793 4/20 0.75
KAT2A Q92830 4/20 0.75
EP300 Q09472 3/20 0.75
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
PTPN7 P35236 2/20 0.62
CACNA1B Q00975 2/20 0.62
APBA1 Q02410 2/20 0.62
PTPN22 Q9Y2R2 2/20 0.62
PTPN12 Q05209 1/20 0.62
APOBEC3G Q9HC16 1/20 0.60

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
SCHEMBL14429922 0.91 MAPT (0.81) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL31283567 0.90 CTDSP1 (0.80) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL22260018 0.89 APEX1 (0.79) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL31284992 0.88 CTDSP1 (0.74) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL14430154 0.86 MAPT (0.80) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL24518350 0.80 MAPT (0.68) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL29727846 0.80 MAPT (0.68) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL22259759 0.78 APEX1 (0.60) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL22259817 0.78 APEX1 (0.60) APEX1CTDSP1DUSP3MAPTMCL1
SCHEMBL22259819 0.78 APEX1 (0.60) APEX1CTDSP1DUSP3MAPTMCL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024260410-A1 OTUB2 INHIBITOR AND USE THEREOF IN TUMOR IMMUNITY 厦门大学 2024-12-26 WO claimed
CN-119174818-A OTUB2 inhibitor and application thereof in tumor immunity 厦门大学 2024-12-24 CN claimed
WO-2024260410-A1 OTUB2 INHIBITOR AND USE THEREOF IN TUMOR IMMUNITY 厦门大学 2024-12-26 WO disclosed
CN-119174818-A OTUB2 inhibitor and application thereof in tumor immunity 厦门大学 2024-12-24 CN disclosed