SCHEMBL29458331

SCHEMBL29458331

O=Cc1ccc(N2CCOCC2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 1.00
PIK3CD O00329 2/20 1.00
PIK3CA P42336 2/20 1.00
PIK3CB P42338 2/20 1.00
PIK3CG P48736 2/20 1.00
MAPT P10636 5/20 0.56
PKM P14618 2/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 5/20 0.55
LMNA P02545 1/20 0.55
ALOX15 P16050 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
MITF O75030 1/20 0.47
HPGD P15428 1/20 0.47
NTSR1 P30989 1/20 0.47

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
SCHEMBL3664146 1.00 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21249084 0.87 PRKDC (0.77) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18493255 0.85 PRKDC (0.73) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7039585 0.85 PIK3CD (0.73) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11297084 0.83 PIK3CD (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6224618 0.82 PIK3CD (0.69) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058515 0.81 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058425 0.81 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5059592 0.81 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5059589 0.81 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705297-A1 SMALL MOLECULE THERAPY FOR DUCHENNE MUSCULAR DYSTROPHY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-03-11 EP disclosed
WO-2024229205-A1 SMALL MOLECULE THERAPY FOR DUCHENNE MUSCULAR DYSTROPHY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-07 WO disclosed
US-20230330280-A1 PREPARATIONS OF RADIUM-224 AND PROGENIES FOR USE IN RADIONUCLIDE THERAPY IN COMBINATION WITH DNA REPAIR INHIBITORS Oncoinvent Solutions AS (NO) 2023-10-19 US disclosed
EP-4213826-A1 PREPARATIONS OF RADIUM-224 AND PROGENIES FOR USE IN RADIONUCLIDE THERAPY IN COMBINATION WITH DNA REPAIR INHIBITORS Oncoinvent AS (NO) 2023-07-26 EP disclosed
US-20220087987-A1 A METHOD FOR TREATING SWI/SNF COMPLEX-DEFICIENT CANCERS COMPRISING GLUTATHIONE (GSH) METABOLIC PATHWAY INHIBITOR NATIONAL CANCER CENTER (JP) 2022-03-24 US disclosed
WO-2022058338-A1 PREPARATIONS OF RADIUM-224 AND PROGENIES FOR USE IN RADIONUCLIDE THERAPY IN COMBINATION WITH DNA REPAIR INHIBITORS ONCOINVENT AS (NO) 2022-03-24 WO disclosed