SCHEMBL23960918

SCHEMBL23960918

c1ccc(-n2c3ccccc3c3c2c2ccccc2c2c4c5ccccc5ccc4n(-c4cccc(-c5cccc6oc7ccccc7c56)c4)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32
AHR P35869 1/20 0.32
PAX8 Q06710 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL23960938 0.92 L3MBTL1 (0.33) SIRT2SIRT1TDP1L3MBTL1
SCHEMBL26374636 0.90 SIRT2 (0.36) SIRT2SIRT1CYP1A1CYP1A2FYN
SCHEMBL26374651 0.90 SIRT2 (0.36) SIRT2SIRT1CYP1A1CYP1A2FYN
SCHEMBL23960924 0.89 KDM4E (0.34) L3MBTL1
SCHEMBL23960989 0.88 SIRT2 (0.34) SIRT2SIRT1CYP1A1CYP1A2FYN
SCHEMBL22186621 0.88 SIRT2 (0.34) SIRT2SIRT1CYP1A1CYP1A2FYN
SCHEMBL23960987 0.87 SIRT2 (0.34) SIRT2SIRT1CYP1A1CYP1A2FYN
SCHEMBL26476492 0.87 L3MBTL1 (0.37) SIRT2SIRT1CYP1A1CYP1A2FYN
SCHEMBL24230677 0.86 L3MBTL1 (0.39) L3MBTL1
SCHEMBL24356670 0.86 L3MBTL1 (0.39) L3MBTL1

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