SCHEMBL16613637

SCHEMBL16613637

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4c3ccn4-c3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.39
NPY5R Q15761 1/20 0.35
PTGER4 P35408 1/20 0.34
TSPO P30536 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
DNM1 Q05193 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC4 P56524 1/20 0.31
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
IL1R1 P14778 1/20 0.30
KDR P35968 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 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
SCHEMBL16613518 0.99 KDM4E (0.40) L3MBTL1KDM4EATMNPY5RPTGER4
SCHEMBL16613519 0.96 KDM4E (0.38) L3MBTL1KDM4EATMNPY5RPTGER4
SCHEMBL16613584 0.96 KDM4E (0.38) L3MBTL1KDM4EATMNPY5RPTGER4
SCHEMBL16613256 0.92 L3MBTL1 (0.39) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL16613520 0.91 ATM (0.37) L3MBTL1KDM4EATMNPY5RPTGER4
SCHEMBL16613585 0.91 KDM4E (0.37) L3MBTL1KDM4EATMNPY5RPTGER4
SCHEMBL16613686 0.90 KDM4E (0.35) L3MBTL1KDM4EATMNPY5RPTGER4
SCHEMBL16613289 0.90 KDM4E (0.41) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL16613364 0.89 KDM4E (0.36) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL16613496 0.88 KDM4E (0.33) L3MBTL1KDM4EATMPTGER4RXFP1

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