SCHEMBL28688178

SCHEMBL28688178

Cc1ccc(Cl)cc1N1CCN(c2nc(-c3ccc4ccccc4c3)no2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ GAA P10253 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ GSK3B P49841 2/20 0.45
▸ TP53 P04637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.42

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
SCHEMBL28930626 0.83 MAPT (0.68) MAPTGAATHRBLMNATP53
SCHEMBL28665709 0.82 MAPT (0.73) MAPTGAATHRBLMNAGSK3B
SCHEMBL28665641 0.81 MAPT (0.58) MAPTGAATHRBLMNATP53
SCHEMBL28670959 0.78 MAPT (0.50) MAPTGAATHRBLMNATP53
SCHEMBL28681669 0.78 MAPT (0.56) MAPTGAATHRBLMNATP53
SCHEMBL28670963 0.78 MAPT (0.64) MAPTGAATHRBLMNATP53
SCHEMBL28665720 0.78 MAPT (0.54) MAPTGAATHRBLMNATP53
SCHEMBL28667847 0.76 MAPT (0.56) MAPTGAATHRBLMNAGSK3B
SCHEMBL28688233 0.75 S1PR1 (0.56) MAPTGAATHRBLMNAALDH1A1
SCHEMBL28661668 0.74 MAPT (0.51) MAPTGAATHRBLMNATP53

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-108658889-B 1,2, 4-oxadiazole-aryl piperazine compound containing naphthalene ring and preparation method and application thereof 贵州医科大学 2021-12-17 — — CN disclosed
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