SCHEMBL22989151

SCHEMBL22989151

c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccc7cccc8oc9cccc%10ccc5c(c%109)c6c78)c5ccccc45)nc4ccccc34)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA2A P29274 3/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.32
WHR1 P49842 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
NR1I3 Q14994 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
VDR P11473 1/20 0.31

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
SCHEMBL22989034 0.96 ALDH1A1 (0.34) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL22989157 0.94 MEN1 (0.39) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL22989149 0.94 MEN1 (0.38) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL22988985 0.92 ALDH1A1 (0.34) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL22989155 0.90 MEN1 (0.32) MEN1KMT2AATMPDK1PDK2
SCHEMBL18876950 0.89 MEN1 (0.36) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL22989012 0.88 L3MBTL1 (0.34) L3MBTL1ALDH1A1KDM4ELMNAPDE10A
SCHEMBL18876878 0.88 ATM (0.38) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL22989018 0.88 TSHR (0.36) MEN1KMT2AALDH1A1KDM4EADORA2A
SCHEMBL22989129 0.87 MEN1 (0.33) MEN1KMT2AATML3MBTL1ALDH1A1

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
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed