SCHEMBL28620970

SCHEMBL28620970

O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2nc(-c3ccc4ccccc4c3)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ LMNA P02545 6/20 0.49
▸ HTT P42858 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ ITGB2 P05107 6/20 0.46
▸ ICAM1 P05362 6/20 0.46
▸ ITGAL P20701 6/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GPR183 P32249 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 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
SCHEMBL28620945 0.89 GPR183 (0.50) MAPTSMN1; SMN2ITGB2ICAM1ITGAL
SCHEMBL28633212 0.88 ALDH1A1 (0.53) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL28615980 0.86 POLB (0.56) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL28634881 0.83 GAA (0.48) MAPTLMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL28620401 0.82 GPR183 (0.55) MAPTLMNAALDH1A1KMT2AGPR183
SCHEMBL28620396 0.82 LMNA (0.48) MAPTLMNAHTTHPGDGPR183
SCHEMBL28616300 0.82 GPR183 (0.51) LMNAALDH1A1HPGDSMN1; SMN2GPR183
SCHEMBL28627421 0.81 L3MBTL1 (0.54) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL28617649 0.81 LMNA (0.48) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL28617767 0.81 L3MBTL1 (0.55) MAPTLMNAHTTALDH1A1SMN1; 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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