SCHEMBL29165586

SCHEMBL29165586

COc1ccc(C=CC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.62
▸ GAA P10253 1/20 0.62
▸ THRB P10828 2/20 0.57
▸ ACHE P22303 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.52
▸ CCR2 P41597 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 1/20 0.47

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
SCHEMBL28627421 0.89 L3MBTL1 (0.54) MAPTGAATHRBACHEL3MBTL1
SCHEMBL28622598 0.82 MAPT (0.48) MAPTGAATHRBACHEL3MBTL1
SCHEMBL30816313 0.82 MAPT (0.64) MAPTGAATHRBL3MBTL1KDM4E
SCHEMBL28616298 0.81 KDM4E (0.51) MAPTTHRBACHEKDM4EALDH1A1
SCHEMBL28620945 0.78 GPR183 (0.50) MAPTGAAL3MBTL1KDM4ETDP1
SCHEMBL28620396 0.75 LMNA (0.48) MAPTTHRBKDM4ENPC1LMNA
SCHEMBL28619373 0.75 MAPT (0.52) MAPTGAATHRBKDM4EALDH1A1
SCHEMBL28634881 0.74 GAA (0.48) MAPTGAAL3MBTL1KMT2ANPC1
SCHEMBL28616300 0.73 GPR183 (0.51) ALDH1A1LMNA
SCHEMBL28620401 0.73 GPR183 (0.55) MAPTTHRBALDH1A1KMT2ANPC1

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-117503772-A Compound for inhibiting hepatitis B surface antigen and application thereof 重庆医科大学国际体外诊断研究院 2024-02-06 — — CN disclosed
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