SCHEMBL13868622

SCHEMBL13868622

CC(=O)Oc1ccc(C2=NN(C)C(c3ccc(OC(C)=O)c(OC(C)=O)c3)C2)cc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ MAOB P27338 12/20 0.48
▸ MAOA P21397 8/20 0.48
▸ MAPT P10636 1/20 0.47
▸ ACHE P22303 2/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL3308921 0.74 MAOB (0.83) KMT2AMAOBMAOAMAPTACHE
SCHEMBL4813362 0.73 MAPT (0.67) MAOBMAOAMAPT
SCHEMBL107978 0.73 MAPT (0.67) MAOBMAOAMAPT
SCHEMBL16181219 0.70 MAOB (0.74) KMT2AMAOBMAOAACHE
SCHEMBL8198693 0.69 RAB9A (0.55) KMT2AMAOBMAOAACHEATM
SCHEMBL178911 0.69 NR3C1 (0.59) KMT2AMAPTMEN1
SCHEMBL178909 0.68 NR3C1 (0.58) KMT2AMAPTMEN1
SCHEMBL13359889 0.68 NR3C1 (0.58) KMT2AMAPTMEN1
SCHEMBL8225508 0.68 NR3C1 (0.58) KMT2AMAPTMEN1
SCHEMBL27318392 0.67 CFD (0.61) KMT2AMAOBMAPTMEN1

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
US-7514583-B2 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTEOTECH, INC. (US) 2009-04-07 — — US disclosed
US-7514583-B2 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTEOTECH, INC. (US) 2009-04-07 — — US disclosed
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