SCHEMBL28339971

SCHEMBL28339971

CN1C(=O)C(=O)c2c(N3CCCC3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
MAPK1 P28482 6/20 0.54
L3MBTL1 Q9Y468 5/20 0.54
ALDH1A1 P00352 4/20 0.54
EGFR P00533 2/20 0.54
RAF1 P04049 1/20 0.54
ALOX12 P18054 1/20 0.54
MAP2K1 Q02750 1/20 0.54
NSD2 O96028 2/20 0.49
KMT2A Q03164 7/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
CES1 P23141 1/20 0.46
EEF2K O00418 1/20 0.43
MEN1 O00255 6/20 0.43
RAB9A P51151 5/20 0.43
PTGS2 P35354 1/20 0.41
NPC1 O15118 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL28342506 0.79 ALDH1A1 (0.50) MAPTMAPK1L3MBTL1ALDH1A1EGFR
SCHEMBL28340052 0.76 MAPT (0.50) MAPTMAPK1L3MBTL1ALDH1A1EGFR
SCHEMBL28339973 0.76 L3MBTL1 (0.54) MAPTMAPK1L3MBTL1ALDH1A1EGFR
SCHEMBL7756746 0.74 TTR (0.52) ALDH1A1KMT2ALMNATTRCES1
SCHEMBL15206754 0.73 TTR (0.50) MAPTMAPK1ALDH1A1EGFRKMT2A
SCHEMBL28074688 0.73 TTR (0.50) MAPTMAPK1ALDH1A1EGFRKMT2A
SCHEMBL2290914 0.73 TTR (0.50) MAPTALDH1A1KMT2ATTRCES1
SCHEMBL21848273 0.73 TTR (0.50) ALDH1A1KMT2ATTRCES1MEN1
SCHEMBL1137933 0.73 TTR (0.55) MAPTMAPK1L3MBTL1ALDH1A1RAF1
SCHEMBL754994 0.73 CES1 (0.50) MAPTMAPK1ALDH1A1NSD2KMT2A

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-108912127-B Benzo [ b, e ] azepine compound based on isatin skeleton and preparation method thereof 青岛农业大学 2019-12-10 CN disclosed