SCHEMBL28443173

SCHEMBL28443173

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
GAA P10253 3/20 0.58
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.43
HKDC1 Q2TB90 3/20 0.43
POLB P06746 3/20 0.43
CASP3 P42574 2/20 0.43
GALK1 P51570 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
HSP90AA1 P07900 2/20 0.41

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
SCHEMBL20046955 0.80 MAPT (0.51) MAPTGAALMNATDP1KMT2A
SCHEMBL14788035 0.72 MAPT (0.75) MAPTGAALMNATDP1TP53
SCHEMBL28628277 0.72 MAPT (0.72) MAPTGAALMNATDP1KMT2A
SCHEMBL28736614 0.72 MAPT (0.49) MAPTGAALMNATDP1KMT2A
SCHEMBL29615687 0.72 MAPT (0.49) MAPTGAALMNATDP1KMT2A
SCHEMBL28443171 0.70 MAPT (0.48) MAPTGAALMNATDP1KMT2A
SCHEMBL13116669 0.69 MAPT (0.79) MAPTGAALMNATDP1TP53
SCHEMBL5497788 0.65 MAPT (0.65) MAPTGAALMNATDP1TP53
SCHEMBL6660403 0.65 MAPT (0.69) MAPTLMNATDP1TP53KMT2A
SCHEMBL20046757 0.64 MAPT (0.67) MAPTGAALMNATDP1TP53

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