SCHEMBL22868898

SCHEMBL22868898

CC1(C)c2ccccc2-c2c1ccc1c(-c3nc(-c4ccccc4)c4ccccc4n3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
NUDT1 P36639 3/20 0.42
ADORA2A P29274 5/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
RAD52 P43351 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
WHR1 P49842 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
HTT P42858 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
SCHEMBL18314282 0.91 MEN1 (0.46) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22868927 0.91 MEN1 (0.42) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL18455506 0.89 MEN1 (0.45) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22868922 0.88 MEN1 (0.41) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL18456007 0.88 MEN1 (0.43) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22868670 0.87 MEN1 (0.41) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22868896 0.87 MAPT (0.34) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL22868650 0.86 MEN1 (0.45) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22868899 0.86 ALDH1A1 (0.32) MEN1KMT2AATMNUDT1ALDH1A1
SCHEMBL22868772 0.86 L3MBTL1 (0.38) MEN1KMT2AATMADORA2AALDH1A1

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