SCHEMBL23960938

SCHEMBL23960938

c1ccc(-n2c3ccccc3c3c2c2ccccc2c2c4c5ccccc5ccc4n(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 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
SCHEMBL23960918 0.92 SIRT2 (0.33) L3MBTL1TDP1SIRT2SIRT1
SCHEMBL26154703 0.90 KDM4E (0.36) L3MBTL1BACE1KDM4EATM
SCHEMBL23960937 0.88 L3MBTL1 (0.35) L3MBTL1TDP1SIRT2SIRT1BACE1
SCHEMBL23961003 0.87 L3MBTL1 (0.36) L3MBTL1KDM4EATM
SCHEMBL23960945 0.87 L3MBTL1 (0.34) L3MBTL1TDP1SIRT2SIRT1BACE1
SCHEMBL23961023 0.87 L3MBTL1 (0.34) L3MBTL1TDP1SIRT2SIRT1BACE1
SCHEMBL24356181 0.85 KDM4E (0.41) L3MBTL1BACE1KDM4EATM
SCHEMBL23309090 0.85 KDM4E (0.41) L3MBTL1BACE1KDM4EATM
SCHEMBL24357538 0.85 KDM4E (0.44) L3MBTL1BACE1KDM4EATM
SCHEMBL22960401 0.85 L3MBTL1 (0.41) L3MBTL1TDP1SIRT2SIRT1BACE1

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
US-20210336153-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-28 US disclosed