SCHEMBL16613593

SCHEMBL16613593

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccn(-c5ccccc5)c34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
ATM Q13315 2/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 2/20 0.33
DHODH Q02127 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HTR7 P34969 1/20 0.32
HDAC4 P56524 1/20 0.32
IL1R1 P14778 1/20 0.32

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
SCHEMBL16613733 0.97 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613604 0.93 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613594 0.92 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613639 0.89 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613641 0.89 L3MBTL1 (0.33) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613603 0.88 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613630 0.86 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613735 0.84 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613736 0.83 KDM4E (0.40) KDM4EL3MBTL1ATMMAPK1POLB
SCHEMBL16613734 0.83 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTNPSR1

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