SCHEMBL22868656

SCHEMBL22868656

CC1(C)c2ccccc2-c2cc3cc(-c4cccc(-c5nc6ccccc6nc5-c5ccccc5)c4)ccc3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
L3MBTL1 Q9Y468 7/20 0.42
LMNA P02545 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
TLR9 Q9NR96 1/20 0.40
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
MAPT P10636 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL22868998 0.96 KDM4E (0.44) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL22869084 0.96 KDM4E (0.44) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL22187679 0.95 KDM4E (0.43) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL18996717 0.89 TDP1 (0.44) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL14508259 0.86 L3MBTL1 (0.44) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL22868666 0.85 MEN1 (0.46) KDM4ELMNAKMT2ASMN1; SMN2ATM
SCHEMBL22186542 0.85 KMT2A (0.42) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL14508249 0.85 TDP1 (0.50) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL24252001 0.84 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL22868615 0.84 MEN1 (0.37) KDM4EALDH1A1L3MBTL1LMNAKMT2A

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-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 US disclosed