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SCHEMBL8133018

SCHEMBL8133018

Cc1c(O)c(=O)ccn1CCNC(=O)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)NCCn1ccc(=O)c(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 18/20 0.46
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8128746 0.85 HTT (0.48) MAOBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8136802 0.79 GSR (0.53) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL8128029 0.78 KDM4E (0.49) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL8118150 0.78 KDM4E (0.46) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL8128163 0.76 GAA (0.51) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL8121689 0.76 APP (0.47) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL8128215 0.76 KDM4E (0.44) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL8127562 0.75 APP (0.46) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL8122299 0.75 KDM4E (0.41) MAOBKDM4ETP53CYP2D6HTT
SCHEMBL8124088 0.74 APP (0.43) MAOBKDM4ETP53CYP2D6HTT

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
EP-1006108-A1 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers Cerebrus Pharmaceuticals Limited (GB) 2000-06-07 — — EP disclosed
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