SCHEMBL5134633

SCHEMBL5134633

Fc1cc(F)cc(COc2cccc([AsH2])c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.53
▸ MAOA P21397 2/20 0.49
▸ NR4A2 P43354 2/20 0.48
▸ ACHE P22303 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ BACE1 P56817 1/20 0.43

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
SCHEMBL810747 0.81 MAOB (0.67) MAOBMAOANR4A2MAPT
SCHEMBL4639329 0.74 MAOB (0.62) MAOBNR4A2
SCHEMBL4426765 0.74 MAOB (0.67) MAOBMAOANR4A2
SCHEMBL2499037 0.73 MAOB (0.83) MAOBMAOANR4A2MEN1ALDH1A1
SCHEMBL921602 0.72 MAOB (0.43) MAOBMAOANR4A2ACHEGSK3B
SCHEMBL21945533 0.72 APP (0.53) MAOBMAOANR4A2MEN1ALDH1A1
SCHEMBL7021392 0.72 GSK3B (0.58) MAOBNR4A2ACHELMNAGSK3B
SCHEMBL28148856 0.71 MAOB (0.46) MAOBMAOANR4A2
SCHEMBL5096562 0.71 MAOB (0.50) MAOBACHEGSK3BBACE1
SCHEMBL669237 0.70 MAOB (0.65) MAOBMAOANR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 — — EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 — — WO disclosed
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