SCHEMBL5319321

SCHEMBL5319321

Nc1ccc(Oc2cccc(OCCO)c2)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ NLRP1 Q9C000 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL5317003 0.86 MAPT (0.47) ALDH1A1RECQLMAPTGAAMEN1
SCHEMBL5707744 0.84 ALDH1A1 (0.57) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL35916 0.79 MAPT (0.65) ALDH1A1RECQLMAPTGAAMEN1
SCHEMBL29358757 0.79 MAPT (0.65) ALDH1A1RECQLMAPTGAAMEN1
SCHEMBL8628578 0.79 MAOB (0.59) ALDH1A1RECQLMAPTGAAMEN1
SCHEMBL655427 0.79 TSHR (0.61) ALDH1A1RECQLTP53TSHRCYP3A4
SCHEMBL5314684 0.79 GAA (0.49) ALDH1A1RECQLMAPTGAAMEN1
SCHEMBL28301654 0.78 MAOB (0.63) ALDH1A1MAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL1453993 0.77 GAA (0.68) ALDH1A1RECQLMAPTGAAMEN1
Hydrochloric Acid SCHEMBL29356501 0.77 GAA (0.68) ALDH1A1RECQLMAPTGAAMEN1

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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