SCHEMBL28564284

SCHEMBL28564284

COc1ccc(-c2noc(N3c4ccccc4CCC3c3ccccc3)n2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
THRB P10828 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC5 Q9UQL6 1/20 0.43
GLA P06280 1/20 0.42
LMNA P02545 3/20 0.42

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
SCHEMBL28567415 0.87 MAPT (0.52) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28564279 0.84 HDAC1 (0.44) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL28573112 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC6HDAC5
SCHEMBL28570089 0.78 HCRTR1 (0.43) MAPTALDH1A1HSD17B10KDM4ETSHR
SCHEMBL28567263 0.76 MAPT (0.56) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28567359 0.73 RAB9A (0.42) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL28570311 0.71 RXRA (0.39) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL28571861 0.70 ALDH1A1 (0.45) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28570400 0.70 RAB9A (0.43) MAPTKMT2AGAAL3MBTL1NPC1
SCHEMBL28913498 0.69 GRM5 (0.40) MAPTMEN1KMT2AGAATSHR

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-108794460-B 1,2, 4-oxadiazole-3, 4-dihydroquinoline compound and preparation method and application thereof 贵州医科大学 2021-05-28 CN disclosed