SCHEMBL28280565

SCHEMBL28280565

O=C(F)Oc1ccc(CC2C(=O)Nc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.61
MAPT P10636 4/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
IDO1 P14902 10/20 0.49
TDO2 P48775 4/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL18025766 0.81 GSK3B (0.68) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL28656947 0.81 GSK3B (0.63) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL18025747 0.79 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL7825637 0.79 GSK3B (0.77) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL38657178 0.79 GSK3B (0.68) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL28649392 0.76 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL7372759 0.76 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL28648105 0.76 GSK3B (0.68) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL8806656 0.74 GSK3B (0.72) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL13989282 0.73 GSK3B (0.53) GSK3BMAPTKDM4EGAAL3MBTL1

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-109320447-A A kind of synthetic method of chirality 3,3- disubstituted indole -2- ketone derivatives 上海工程技术大学 2019-02-12 CN disclosed