SCHEMBL16613519

SCHEMBL16613519

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4c3ccn4-c3ccccc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 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
RXFP1 Q9HBX9 2/20 0.31
ALDH1A1 P00352 2/20 0.30
DNM1 Q05193 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16613584 0.96 KDM4E (0.38) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613637 0.96 L3MBTL1 (0.39) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613518 0.95 KDM4E (0.40) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613313 0.92 KDM4E (0.37) KDM4EATML3MBTL1RXFP1ALDH1A1
SCHEMBL16613364 0.89 KDM4E (0.36) KDM4EATML3MBTL1RXFP1ALDH1A1
SCHEMBL16613585 0.89 KDM4E (0.37) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613520 0.89 ATM (0.37) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16613496 0.88 KDM4E (0.33) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL16613256 0.88 L3MBTL1 (0.39) KDM4EATML3MBTL1RXFP1ALDH1A1
SCHEMBL16613686 0.86 KDM4E (0.35) 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