SCHEMBL28665641

SCHEMBL28665641

Clc1cc(Cl)cc(N2CCN(c3nc(-c4ccc5ccccc5c4)no3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.58
▸ THRB P10828 1/20 0.58
▸ GAA P10253 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NR1H4 Q96RI1 4/20 0.43
▸ ERG P11308 1/20 0.41
▸ SMO Q99835 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HTR1A P08908 1/20 0.41

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 0.90 MAPT (0.68) MAPTTHRBGAAALDH1A1LMNA
SCHEMBL28665720 0.87 MAPT (0.54) MAPTTHRBGAAALDH1A1LMNA
SCHEMBL28661668 0.83 MAPT (0.51) MAPTTHRBGAAALDH1A1LMNA
SCHEMBL28681669 0.83 MAPT (0.56) MAPTTHRBGAAALDH1A1LMNA
SCHEMBL28688168 0.83 MAPT (0.53) MAPTTHRBGAAALDH1A1TP53
SCHEMBL28680258 0.81 MAPT (0.53) MAPTTHRBGAAALDH1A1LMNA
SCHEMBL28667773 0.81 MAPT (0.62) MAPTTHRBGAAALDH1A1LMNA
SCHEMBL28667847 0.81 MAPT (0.56) MAPTTHRBGAAALDH1A1LMNA
SCHEMBL28688178 0.81 MAPT (0.51) MAPTTHRBGAAALDH1A1LMNA
SCHEMBL28665714 0.80 MAPT (0.64) MAPTTHRBGAAALDH1A1LMNA

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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