SCHEMBL28634881

SCHEMBL28634881

O=C(/C=C/c1ccccc1)N1CCN(c2nc(-c3ccc4ccccc4c3)no2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ME2 P23368 1/20 0.47
▸ ME1 P48163 1/20 0.47
▸ ME3 Q16798 1/20 0.47
▸ AR P10275 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CCNC P24863 2/20 0.45
▸ CDK8 P49336 2/20 0.45
▸ FAAH O00519 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GPR183 P32249 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL28620396 0.92 LMNA (0.48) ARCCNCCDK8MAPTLMNA
SCHEMBL28620401 0.92 GPR183 (0.55) KMT2ARAB9AMAPTLMNANPC1
SCHEMBL28616300 0.92 GPR183 (0.51) LMNAGPR183SMN1; SMN2TP53
SCHEMBL28617767 0.91 L3MBTL1 (0.55) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL28617649 0.91 LMNA (0.48) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL28620716 0.91 MAPT (0.45) GAAL3MBTL1ARCCNCCDK8
SCHEMBL28617479 0.90 STAT3 (0.52) GAAL3MBTL1MEN1KMT2ACCNC
SCHEMBL28633212 0.89 ALDH1A1 (0.53) GAAL3MBTL1POLBMAPTLMNA
SCHEMBL28620945 0.89 GPR183 (0.50) GAAL3MBTL1RAB9ACCNCCDK8
SCHEMBL28627425 0.88 LMNA (0.51) GAAL3MBTL1POLBCCNCCDK8

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-108440440-B Naphthalene ring-containing 1,2, 4-oxadiazole-cinnamoyl piperazine compound and preparation method and application thereof 贵州医科大学 2021-07-13 — — CN disclosed
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