SCHEMBL22989129

SCHEMBL22989129

c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccc7cccc8sc9cccc%10ccc5c(c%109)c6c78)c5ccccc45)nc4ccccc34)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA2A P29274 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PDE10A Q9Y233 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

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
SCHEMBL22989183 0.96 MEN1 (0.33) MEN1KMT2AATMADORA2APDE10A
SCHEMBL22989122 0.94 MEN1 (0.38) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL22989123 0.92 MEN1 (0.33) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL22989124 0.91 MEN1 (0.32) MEN1KMT2AATM
SCHEMBL22989189 0.90 KMT2A (0.38) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL22989086 0.88 PDE10A (0.32) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL18876950 0.88 MEN1 (0.36) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL22989151 0.87 MEN1 (0.33) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL22989128 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL22989073 0.87

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