SCHEMBL29397014

SCHEMBL29397014

COC(=O)c1ccc2c(c1)NC(=O)C(C(C)O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.56
THRB P10828 2/20 0.53
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.43
ALOX5 P09917 1/20 0.41
PDPK1 O15530 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL22963745 1.00 GAA (0.56) GAATHRBALOX15HSD17B10HTT
SCHEMBL5579256 0.91 GAA (0.66) GAATHRBALOX15HSD17B10HTT
SCHEMBL30428203 0.85 GAA (0.55) GAATHRBALOX15HSD17B10HTT
SCHEMBL29026155 0.85 GAA (0.55) GAATHRBALOX15HSD17B10HTT
SCHEMBL29026137 0.85 GAA (0.51) GAATHRBALOX15HSD17B10HTT
SCHEMBL30908507 0.81 MEN1 (0.60) GAATHRBALOX15HSD17B10HTT
SCHEMBL21606298 0.81 MEN1 (0.60) GAATHRBALOX15HSD17B10HTT
SCHEMBL22912782 0.77 MAPT (0.55) GAATHRBALOX15HSD17B10HTT
SCHEMBL29394281 0.77 MAPT (0.55) GAATHRBALOX15HSD17B10HTT
SCHEMBL25315890 0.76 GAA (0.43) GAATHRBMEN1KMT2AALDH1A1

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