SCHEMBL21676182

SCHEMBL21676182

c1ccc(-n2c3ccccc3c3ccc4c(c5c6ccccc6ccc5n4-c4ccc5c6c(cccc46)-c4ccccc4-5)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
DUSP3 P51452 1/20 0.31
MEN1 O00255 2/20 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
SCHEMBL21676147 0.94 PDE6D (0.36) L3MBTL1KDM4EATM
SCHEMBL21676188 0.93 L3MBTL1 (0.40) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL21676037 0.92 L3MBTL1 (0.36) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL21676164 0.92 TDP1 (0.36) L3MBTL1ATMALDH1A1HPGDTSHR
SCHEMBL21676154 0.92 PDE10A (0.32) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL21676156 0.90 ALDH1A1 (0.33) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL21675966 0.89 L3MBTL1 (0.35) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL21676127 0.88 L3MBTL1 (0.34) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL21676176 0.87 L3MBTL1 (0.39) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL21676054 0.86 PDE6D (0.36) L3MBTL1KDM4EATMALDH1A1HPGD

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-2020026133-A1 POLYCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-06 WO disclosed