SCHEMBL30509828

SCHEMBL30509828

O=C1C([Se]c2cccc(Cl)c2)=C(N2CCOCC2)C(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 4/20 0.49
▸ MAPT P10636 12/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ PKM P14618 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 7/20 0.44
▸ LMNA P02545 6/20 0.44
▸ NSD2 O96028 4/20 0.44
▸ APAF1 O14727 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44

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
SCHEMBL28455530 1.00 TDP2 (0.49) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL28455707 0.86 TDP2 (0.52) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL30509829 0.86 TDP2 (0.52) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL28442588 0.86 TDP2 (0.57) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL28449203 0.85 TDP2 (0.52) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL28457889 0.82 TDP2 (0.46) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL30509831 0.79 TDP2 (0.52) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL28461087 0.79 TDP2 (0.52) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL28455814 0.79 MAPT (0.62) TDP2MAPTALDH1A1TDP1MAPK1
SCHEMBL2464460 0.76 MAPT (0.70) TDP2MAPTALDH1A1TDP1MAPK1

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 1 patent. 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
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