SCHEMBL28316407

SCHEMBL28316407

CCCCc1c(CCCC(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c(N)c(C(=O)OC(C)(C)C)c2c1C(=O)NC2=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 6/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CTSK P43235 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CTSS P25774 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL28875688 0.70 DRD2 (0.40) MEN1KMT2AMAPTPOLBGAA
SCHEMBL22162664 0.67 MEN1 (0.55) MEN1KMT2AMAPTPOLBGAA
SCHEMBL13767609 0.67 MEN1 (0.55) MEN1KMT2AMAPTPOLBGAA
SCHEMBL28314238 0.67 DRD2 (0.41) MEN1KMT2AGAACTSKCTSS
SCHEMBL31121749 0.66 CTSK (0.54) CTSKCTSS
SCHEMBL31121751 0.66 CTSK (0.54) CTSKCTSS
SCHEMBL23168272 0.66 TDP1 (0.59) MEN1KMT2AMAPTPOLBGAA
SCHEMBL10190369 0.66 TDP1 (0.59) MEN1KMT2AMAPTPOLBGAA
SCHEMBL8062203 0.66 TDP1 (0.59) MEN1KMT2AMAPTPOLBGAA
SCHEMBL20358461 0.66 MEN1 (0.56) MEN1KMT2AMAPTPOLBGAA

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-107382942-B 8- polyamines base dihydromyricetin derivative and its preparation method and application 石家庄学院 2019-07-30 — — CN disclosed
Send feedback