SCHEMBL28630175

SCHEMBL28630175

O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2nc(-c3ccc4ccccc4c3)no2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ERG P11308 1/20 0.45
▸ SMO Q99835 1/20 0.45
▸ CCNC P24863 2/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ MAPT P10636 6/20 0.44
▸ THRB P10828 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ITGB2 P05107 2/20 0.42
▸ ICAM1 P05362 2/20 0.42
▸ ITGAL P20701 2/20 0.42
▸ GPR183 P32249 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTT P42858 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 0.85 GPR183 (0.50) SMN1; SMN2L3MBTL1RAB9AERGSMO
SCHEMBL28617647 0.84 CCNC (0.48) SMN1; SMN2LMNAL3MBTL1RAB9AALDH1A1
SCHEMBL28619727 0.84 CCNC (0.46) SMN1; SMN2LMNAL3MBTL1RAB9AALDH1A1
SCHEMBL28634881 0.84 GAA (0.48) SMN1; SMN2LMNAL3MBTL1RAB9ACCNC
SCHEMBL28619373 0.82 MAPT (0.52) SMN1; SMN2LMNARAB9AALDH1A1SMO
SCHEMBL28633219 0.81 CCNC (0.44) SMN1; SMN2LMNAALDH1A1ERGSMO
SCHEMBL28620401 0.81 GPR183 (0.55) LMNARAB9AALDH1A1MAPTTHRB
SCHEMBL28620396 0.81 LMNA (0.48) LMNACCNCCDK8MAPTTHRB
SCHEMBL28616300 0.81 GPR183 (0.51) SMN1; SMN2LMNAALDH1A1GPR183
SCHEMBL28620716 0.79 MAPT (0.45) SMN1; SMN2LMNAL3MBTL1ALDH1A1CCNC

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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