SCHEMBL23936736

SCHEMBL23936736

CC1(C)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2-c2cccc(-c3ccccc3)c2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
KDM4E B2RXH2 8/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
ATM Q13315 1/20 0.40
TLR9 Q9NR96 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL23936468 0.99 TDP1 (0.44) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23936382 0.89 TDP1 (0.50) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23936648 0.88 TDP1 (0.49) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23935978 0.88 TDP1 (0.51) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23935979 0.88 TDP1 (0.51) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23936135 0.85 KDM4E (0.48) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23936170 0.85 KDM4E (0.34) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23936409 0.84 KDM4E (0.48) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23935990 0.83 KDM4E (0.50) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23935963 0.83 TDP1 (0.44) TDP1L3MBTL1KDM4ELMNAALDH1A1

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