SCHEMBL28617767

SCHEMBL28617767

O=C(/C=C/c1cccc(F)c1)N1CCN(c2nc(-c3ccc4ccccc4c3)no2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ GPR183 P32249 2/20 0.44
▸ MAPT P10636 6/20 0.42
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CCNC P24863 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL28620401 0.91 GPR183 (0.55) GPR183MAPTLMNATP53THRB
SCHEMBL28634881 0.91 GAA (0.48) L3MBTL1GPR183MAPTLMNASMN1; SMN2
SCHEMBL28620716 0.89 MAPT (0.45) L3MBTL1GPR183MAPTLMNASMN1; SMN2
SCHEMBL28617649 0.89 LMNA (0.48) L3MBTL1GPR183MAPTLMNASMN1; SMN2
SCHEMBL28627425 0.89 LMNA (0.51) L3MBTL1MAPTLMNASMN1; SMN2TP53
SCHEMBL28615980 0.86 POLB (0.56) L3MBTL1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL28620945 0.85 GPR183 (0.50) L3MBTL1GPR183MAPTSMN1; SMN2NPC1
SCHEMBL28620396 0.85 LMNA (0.48) GPR183MAPTLMNATP53THRB
SCHEMBL28616300 0.85 GPR183 (0.51) GPR183LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL28617647 0.85 CCNC (0.48) L3MBTL1GPR183MAPTLMNASMN1; SMN2

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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