SCHEMBL28667773

SCHEMBL28667773

COc1ccc(N2CCN(c3nc(-c4ccc5ccccc5c4)no3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.62
▸ GAA P10253 1/20 0.62
▸ TP53 P04637 4/20 0.56
▸ THRB P10828 2/20 0.56
▸ LMNA P02545 5/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL28665714 0.90 MAPT (0.64) MAPTGAATP53THRBLMNA
SCHEMBL28681669 0.88 MAPT (0.56) MAPTGAATP53THRBLMNA
SCHEMBL28665720 0.88 MAPT (0.54) MAPTGAATP53THRBLMNA
SCHEMBL28676593 0.88 MAPT (0.53) MAPTGAATP53THRBLMNA
SCHEMBL28688168 0.86 MAPT (0.53) MAPTGAATP53THRBNPC1
SCHEMBL28930626 0.86 MAPT (0.68) MAPTGAATP53THRBLMNA
SCHEMBL31546320 0.83 MAPT (0.75) MAPTGAATP53THRBLMNA
SCHEMBL28670963 0.83 MAPT (0.64) MAPTGAATP53THRBLMNA
SCHEMBL28661668 0.81 MAPT (0.51) MAPTGAATP53THRBLMNA
SCHEMBL28667847 0.81 MAPT (0.56) MAPTGAATP53THRBLMNA

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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