SCHEMBL20468535

SCHEMBL20468535

COc1ccc(/C(C#N)=C/c2coc3ccccc23)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.48
▸ MAOA P21397 2/20 0.48
▸ PDE4B Q07343 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ ABCB1 P08183 2/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ TUBB4A P04350 3/20 0.42
▸ TUBB P07437 3/20 0.42
▸ TUBA3C P0DPH7 3/20 0.42
▸ TUBA1B P68363 3/20 0.42
▸ TUBA4A P68366 3/20 0.42
▸ TUBB4B P68371 3/20 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
SCHEMBL20468567 0.88 TUBB4A (0.53) MAOBMAOATUBB4ATUBBTUBA3C
SCHEMBL20468566 0.84 NQO2 (0.48) MAOBMAOAPDE4BNPC1MAPT
SCHEMBL5613888 0.80 KDM4E (0.49) PDE4BMAPTRECQLSMN1; SMN2HIF1A
SCHEMBL5613889 0.80 KDM4E (0.49) PDE4BMAPTRECQLSMN1; SMN2HIF1A
SCHEMBL1959689 0.79 PDE4B (0.46) PDE4BMAPTRECQLSMN1; SMN2HIF1A
SCHEMBL1959686 0.79 PDE4B (0.46) PDE4BMAPTRECQLSMN1; SMN2HIF1A
SCHEMBL4998760 0.78 TUBB4A (0.51) PDE4BMAPTRECQLSMN1; SMN2HIF1A
SCHEMBL4998763 0.78 TUBB4A (0.51) PDE4BMAPTRECQLSMN1; SMN2HIF1A
SCHEMBL1960200 0.77 EGFR (0.54) MAOBMAOANPC1MAPTRAB9A
SCHEMBL1958432 0.77 TUBB4A (0.46) PDE4BMAPTRECQLSMN1; SMN2HIF1A

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-2018144910-A1 METHODS OF PROTECTING AGAINST NEURODEGENERATION BIOVENTURES, LLC (US) 2018-08-09 — — WO disclosed
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