SCHEMBL17864120

SCHEMBL17864120

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(ccc7c8ccccc8ccc67)cc54)c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
HIF1A Q16665 1/20 0.33
PTGES O14684 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAPT P10636 1/20 0.31
HPRT1 P00492 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A1 P04798 1/20 0.31
PDE4B Q07343 1/20 0.31
MEN1 O00255 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
SCHEMBL17864116 0.91 MEN1 (0.37) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL17864118 0.90 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1HSD17B10
SCHEMBL17864153 0.87 KDM4E (0.36) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL22596228 0.87 L3MBTL1 (0.47) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL16066989 0.87 KDM4E (0.37) KDM4EATML3MBTL1HTR6CYP19A1
SCHEMBL19367171 0.86 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL16066168 0.85 KDM4E (0.38) KDM4EATML3MBTL1HTR6ALDH1A1
SCHEMBL22596524 0.85 L3MBTL1 (0.38) KDM4EATML3MBTL1HTR6ALDH1A1
SCHEMBL17864105 0.85 ALDH1A1 (0.35) KDM4EHTR6ALDH1A1HSD17B10HPGD
SCHEMBL17864100 0.85 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1HSD17B10

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed