SCHEMBL28620716

SCHEMBL28620716

Cc1cccc(/C=C/C(=O)N2CCN(c3nc(-c4ccc5ccccc5c4)no3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.45
▸ LMNA P02545 5/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GPR183 P32249 1/20 0.43
▸ TP53 P04637 4/20 0.43
▸ CCNC P24863 2/20 0.43
▸ CDK8 P49336 2/20 0.43
▸ AR P10275 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRB P10828 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 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
SCHEMBL28620396 0.91 LMNA (0.48) MAPTLMNAHTTNPC1GPR183
SCHEMBL28634881 0.91 GAA (0.48) MAPTLMNAHTTNPC1GPR183
SCHEMBL28617649 0.89 LMNA (0.48) MAPTLMNAHTTNPC1GPR183
SCHEMBL28617767 0.89 L3MBTL1 (0.55) MAPTLMNAHTTNPC1GPR183
SCHEMBL28628753 0.87 MAPT (0.48) MAPTLMNAHTTNPC1TP53
SCHEMBL28627425 0.87 LMNA (0.51) MAPTLMNAHTTTP53CCNC
SCHEMBL28627421 0.86 L3MBTL1 (0.54) MAPTLMNAHTTNPC1L3MBTL1
SCHEMBL28620945 0.85 GPR183 (0.50) MAPTNPC1GPR183CCNCCDK8
SCHEMBL28620401 0.85 GPR183 (0.55) MAPTLMNANPC1GPR183TP53
SCHEMBL28616300 0.85 GPR183 (0.51) LMNAGPR183TP53ALDH1A1SMN1; 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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