SCHEMBL28567263

SCHEMBL28567263

COc1ccc(-c2noc(N3CCCc4ccccc43)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 7/20 0.55
TSHR P16473 6/20 0.55
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48

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
SCHEMBL28567363 0.83 ALDH1A1 (0.56) MAPTALDH1A1TSHRPDE4BPDE4D
SCHEMBL28253538 0.82 ROCK1 (0.45) MAPTALDH1A1TSHRPDE4BSMN1; SMN2
SCHEMBL28573108 0.82 MAPT (0.40) MAPTALDH1A1TSHRTHRBSMN1; SMN2
SCHEMBL28252766 0.81 NR1H4 (0.46) MAPTALDH1A1TSHRPDE4BSMN1; SMN2
SCHEMBL28577984 0.80 MEN1 (0.45) MAPTALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL28566847 0.80 PDE4B (0.45) ALDH1A1PDE4BSMN1; SMN2RAB9A
SCHEMBL28570315 0.80 MAPT (0.44) MAPTALDH1A1TSHRGAATHRB
SCHEMBL28567415 0.79 MAPT (0.52) MAPTALDH1A1TSHRGAATHRB
SCHEMBL28866091 0.78 ALDH1A1 (0.44) MAPTALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL28564284 0.76 MAPT (0.52) MAPTALDH1A1TSHRGAATHRB

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-108794460-B 1,2, 4-oxadiazole-3, 4-dihydroquinoline compound and preparation method and application thereof 贵州医科大学 2021-05-28 CN disclosed