SCHEMBL23936756

SCHEMBL23936756

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
TDP1 Q9NUW8 2/20 0.37
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACACA Q13085 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AHR P35869 1/20 0.34
PLA2G2A P14555 1/20 0.33
PLA2G4A P47712 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL23936710 0.94 L3MBTL1 (0.36) L3MBTL1TDP1MMP12MMP13PIK3R1
SCHEMBL23936312 0.92 L3MBTL1 (0.35) L3MBTL1TDP1ALDH1A1KDM4EHCRTR1
SCHEMBL23936491 0.91 L3MBTL1 (0.40) L3MBTL1TDP1MMP12MMP13PIK3R1
SCHEMBL23936430 0.90 L3MBTL1 (0.34) L3MBTL1TDP1MMP12MMP13GAA
SCHEMBL23936394 0.87 L3MBTL1 (0.36) L3MBTL1TDP1GAAALDH1A1KDM4E
SCHEMBL23935957 0.87 MMP12 (0.38) L3MBTL1MMP12MMP13GAAALDH1A1
SCHEMBL23936403 0.85 MAPT (0.37) L3MBTL1TDP1ALDH1A1KDM4EHCRTR1
SCHEMBL23936748 0.84 TDP1 (0.51) L3MBTL1TDP1PIK3R1PIK3CAGAA
SCHEMBL23936145 0.84 TDP1 (0.51) L3MBTL1TDP1PIK3R1PIK3CAGAA
SCHEMBL23385087 0.83 L3MBTL1 (0.47) L3MBTL1TDP1MMP12MMP13PIK3R1

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-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed