SCHEMBL22869032

SCHEMBL22869032

CC1(C)c2ccccc2-c2ccc3cc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)c5ccccc45)ccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 8/20 0.40
LMNA P02545 6/20 0.40
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 7/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 3/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
ATM Q13315 1/20 0.35
TLR9 Q9NR96 1/20 0.35
HTT P42858 1/20 0.34

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 0.93 TDP1 (0.42) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22869033 0.92 TDP1 (0.41) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22868718 0.90 KDM4E (0.46) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL24274974 0.86 ALDH1A1 (0.38) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22869037 0.86 L3MBTL1 (0.39) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22868894 0.85 TDP1 (0.43) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL24275148 0.85 ALDH1A1 (0.38) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL24274983 0.84 ALDH1A1 (0.39) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22868993 0.84 KDM4E (0.36) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22868994 0.84 KDM4E (0.36) KDM4EALDH1A1LMNAGAAL3MBTL1

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