SCHEMBL29396402

SCHEMBL29396402

CC(F)(F)c1nc2ccc(CO)cc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.50
▸ PARP2 Q9UGN5 6/20 0.50
▸ PARP6 Q2NL67 5/20 0.50
▸ PARP3 Q9Y6F1 4/20 0.50
▸ TNKS O95271 2/20 0.50
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KHK P50053 1/20 0.44
▸ CBFB Q13951 5/20 0.43
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ ALOX15 P16050 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
SCHEMBL24282029 1.00 PARP1 (0.50) PARP1PARP2PARP6PARP3TNKS
SCHEMBL22912817 0.89 KDM4E (0.57) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29396642 0.89 KDM4E (0.57) PARP1PARP2PARP6PARP3TNKS
SCHEMBL28686826 0.86 PARP1 (0.48) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29397055 0.86 PARP1 (0.48) PARP1PARP2PARP6PARP3TNKS
SCHEMBL30493593 0.79 MAPT (0.48) PARP1PARP2PARP6PARP3TNKS
SCHEMBL25321380 0.79 MAPT (0.48) PARP1PARP2PARP6PARP3TNKS
SCHEMBL15745613 0.79 CBFB (0.48) PARP1PARP2PARP6PARP3MEN1
SCHEMBL22912784 0.78 PARP1 (0.52) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29396356 0.78 PARP1 (0.52) PARP1PARP2PARP6PARP3TNKS

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 7 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
EP-3999506-B1 PARP1 INHIBITORS ASTRAZENECA AB (SE) 2025-01-15 — — EP disclosed
CN-114144413-B PARP1 inhibitors 阿斯利康(瑞典)有限公司 2024-08-16 — — CN disclosed
CN-116425744-A Piperazine-containing ring derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-07-14 — — 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
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