SCHEMBL29397532

SCHEMBL29397532

COC(=O)c1ccc2nc(C(C)O)c(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PARP1 P09874 3/20 0.49
BRD4 O60885 1/20 0.48
CSNK2A1 P68400 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
GRB7 Q14451 3/20 0.45
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 2/20 0.45

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
SCHEMBL22963743 1.00 HTT (0.56) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL29026141 0.85 HTT (0.57) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL30908290 0.81 KDM4E (0.61) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL29396281 0.79 HTT (0.59) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL22963740 0.79 HTT (0.59) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL4249669 0.79 KDM4E (0.61) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL22912783 0.78 KDM4E (0.57) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL6304842 0.77 KDM4E (0.70) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL25317041 0.77 LMNA (0.51) HTTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL30493526 0.77 LMNA (0.51) HTTALDH1A1LMNAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348115-B Combination of antibody-drug conjugate and PARP1 selective inhibitor ASTRAZENECA UK LTD. (GB) 2026-05-26 CN disclosed
CN-114144413-B PARP1 inhibitors 阿斯利康(瑞典)有限公司 2024-08-16 CN disclosed
CN-116348115-A Combination of antibody-drug conjugate and PARP1 selective inhibitor 阿斯利康(英国)有限公司 2023-06-27 CN disclosed
EP-3999506-A1 PARP1 INHIBITORS Astrazeneca AB (SE) 2022-05-25 EP disclosed
CN-114144413-A PARP1 inhibitors 阿斯利康(瑞典)有限公司 2022-03-04 CN disclosed