SCHEMBL28449203

SCHEMBL28449203

Cc1cccc([Se]C2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.52
▸ MAPT P10636 11/20 0.52
▸ APAF1 O14727 7/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ L3MBTL1 Q9Y468 6/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ POLB P06746 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ LMNA P02545 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ NSD2 O96028 3/20 0.47
▸ NPC1 O15118 5/20 0.46
▸ HTT P42858 2/20 0.46
▸ MITF O75030 1/20 0.46
▸ PTBP1 P26599 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.46
▸ PKM P14618 2/20 0.46

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
SCHEMBL28455814 0.86 MAPT (0.62) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL28442588 0.86 TDP2 (0.57) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL30509828 0.85 TDP2 (0.49) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL28455530 0.85 TDP2 (0.49) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL28457889 0.82 TDP2 (0.46) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL30509829 0.79 TDP2 (0.52) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL28455707 0.79 TDP2 (0.52) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL30509831 0.79 TDP2 (0.52) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL28461087 0.79 TDP2 (0.52) TDP2MAPTAPAF1ALDH1A1L3MBTL1
SCHEMBL30509830 0.78 TDP2 (0.52) TDP2MAPTAPAF1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111620840-B Synthesis method of 2-morpholino-3-arylseleno naphthoquinone 温州医科大学 2023-06-30 — — CN disclosed
CN-111620840-A Synthetic method of 2-morpholinyl-3-arylseleno naphthoquinone 温州医科大学 2020-09-04 — — CN disclosed
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