SCHEMBL16613536

SCHEMBL16613536

c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4occc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.33
NPY5R Q15761 1/20 0.32
TSPO P30536 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16613462 0.96 KDM4E (0.39) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613491 0.95 KDM4E (0.40) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613537 0.92 KDM4E (0.33) KDM4EATML3MBTL1PTGER4
SCHEMBL16613579 0.89 KDM4E (0.37) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613493 0.88 KDM4E (0.35) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613492 0.88 KDM4E (0.36) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL16613580 0.88 KDM4E (0.36) KDM4EATML3MBTL1PTGER4
SCHEMBL16613500 0.85 KDM4E (0.38) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613463 0.85 NPY5R (0.40) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL15537274 0.85 L3MBTL1 (0.43) KDM4EATML3MBTL1PTGER4NPY5R

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed