SCHEMBL16613604

SCHEMBL16613604

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccn(-c5ccccc5)c34)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 2/20 0.30
IL1R1 P14778 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL16613594 0.94 KDM4E (0.36) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613593 0.93 KDM4E (0.39) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613733 0.93 KDM4E (0.40) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613570 0.90 KDM4E (0.31) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613735 0.87 KDM4E (0.33) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613603 0.86 KDM4E (0.36) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613568 0.84 KDM4E (0.30) KDM4EL3MBTL1ATM
SCHEMBL15596709 0.83 ALDH1A1 (0.39) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613639 0.82 KDM4E (0.33) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613313 0.82 KDM4E (0.37) KDM4EL3MBTL1ATMALDH1A1HPGD

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