SCHEMBL28443171

SCHEMBL28443171

O=C1C([Se]c2ccccc2)=C(N2CCC(O)CC2)C(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
POLB P06746 5/20 0.48
APAF1 O14727 4/20 0.48
NSD2 O96028 4/20 0.48
CASP3 P42574 2/20 0.48
GALK1 P51570 2/20 0.48
KMT2A Q03164 2/20 0.48
HKDC1 Q2TB90 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
L3MBTL1 Q9Y468 6/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
TDP2 O95551 3/20 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
SCHEMBL28451081 0.82 MAPT (0.56) MAPTPOLBAPAF1NSD2CASP3
SCHEMBL28442588 0.80 TDP2 (0.57) MAPTPOLBAPAF1NSD2CASP3
SCHEMBL28897964 0.80 MAPT (0.42) MAPTPOLBAPAF1NSD2CASP3
SCHEMBL20046955 0.79 MAPT (0.51) MAPTPOLBAPAF1NSD2CASP3
SCHEMBL29615687 0.77 MAPT (0.49) MAPTPOLBAPAF1NSD2CASP3
SCHEMBL28628277 0.77 MAPT (0.72) MAPTPOLBAPAF1NSD2CASP3
SCHEMBL28736614 0.77 MAPT (0.49) MAPTPOLBAPAF1NSD2CASP3
SCHEMBL6688510 0.71 MEN1 (0.52) MAPTPOLBAPAF1CASP3GALK1
SCHEMBL29702942 0.71 MEN1 (0.52) MAPTPOLBAPAF1CASP3GALK1
SCHEMBL28443173 0.70 MAPT (0.58) MAPTPOLBAPAF1NSD2CASP3

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-111606843-A Synthetic method of 2-phenylseleno-3-amino-1, 4-naphthoquinone 温州医科大学 2020-09-01 CN disclosed