SCHEMBL5314684

SCHEMBL5314684

Nc1ccc(Oc2ccccc2OCCO)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ RECQL P46063 1/20 0.38

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
SCHEMBL29358757 0.85 MAPT (0.65) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL35916 0.85 MAPT (0.65) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL29378616 0.83 GAA (0.68) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL33976 0.83 GAA (0.68) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL29356501 0.83 GAA (0.68) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL1453993 0.83 GAA (0.68) GAAMAPTKDM4EALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL27977263 0.83 MAPT (0.62) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL5707641 0.83 ALDH1A1 (0.46) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL22612486 0.82 MAPT (0.61) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL29148900 0.82 GAA (0.66) GAAMAPTKDM4EALDH1A1MEN1

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
WO-2007071344-A2 NOVEL COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-06-28 — — WO disclosed
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