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SCHEMBL22077050

SCHEMBL22077050

c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CHEK2 O96017 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL22078141 0.98 SIRT2 (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22077936 0.95 SIRT2 (0.34) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22077051 0.95 SIRT2 (0.35) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22077946 0.93 KDM4E (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22076764 0.93 KDM4E (0.35) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22077940 0.91 SIRT2 (0.34) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22076767 0.91 — —
SCHEMBL22078321 0.91 SIRT2 (0.35) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL18164795 0.90 KDM4E (0.38) KDM4EATML3MBTL1CHEK2CASP3
SCHEMBL22077049 0.89 L3MBTL1 (0.39) KDM4EATML3MBTL1

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-2020116418-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2020-06-11 — — WO disclosed
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