SCHEMBL22869033

SCHEMBL22869033

CC1(C)c2ccccc2-c2ccc3cc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)ccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 6/20 0.40
LMNA P02545 5/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
ATM Q13315 1/20 0.37
TLR9 Q9NR96 1/20 0.37
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
SCHEMBL22868995 0.96 TDP1 (0.42) TDP1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL22869032 0.92 KDM4E (0.40) TDP1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL24275148 0.90 ALDH1A1 (0.38) TDP1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL24274974 0.89 ALDH1A1 (0.38) TDP1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL22868894 0.88 TDP1 (0.43) TDP1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL24274983 0.87 ALDH1A1 (0.39) TDP1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL22868968 0.86 PDK2 (0.38) KDM4EALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL22868718 0.85 KDM4E (0.46) TDP1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL22868652 0.85 L3MBTL1 (0.38) TDP1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL22868838 0.84 PDK2 (0.36) ALDH1A1L3MBTL1KMT2AMEN1HPGD

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