SCHEMBL16613641

SCHEMBL16613641

c1ccc(-n2ccc3nc(-n4c5ccccc5c5ccccc54)nc(-c4ccc(-c5cccc6ccccc56)cc4)c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.33
KDM4E B2RXH2 4/20 0.33
ATM Q13315 3/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 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
SCHEMBL16613735 0.92 KDM4E (0.33) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL16613734 0.91 KDM4E (0.36) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL16613724 0.90 DUSP3 (0.30)
SCHEMBL16613573 0.89 KDM4E (0.35) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL16613593 0.89 KDM4E (0.39) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL16613733 0.89 KDM4E (0.40) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL16613603 0.86 KDM4E (0.36) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL15596710 0.85 ALDH1A1 (0.36) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL16613736 0.84 KDM4E (0.40) L3MBTL1KDM4EATMMAPK1HSD17B10
SCHEMBL16613273 0.83 KDM4E (0.34) L3MBTL1KDM4EATMENPP3ENPP1

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