SCHEMBL16613735

SCHEMBL16613735

c1ccc(-n2ccc3nc(-n4c5ccccc5c5ccccc54)nc(-c4cccc(-c5cccc6ccccc56)c4)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ATM Q13315 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 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
SCHEMBL16613641 0.92 L3MBTL1 (0.33) KDM4EL3MBTL1ALDH1A1ATMMAPT
SCHEMBL16613569 0.91
SCHEMBL16613594 0.90 KDM4E (0.36) KDM4EL3MBTL1ALDH1A1ATMMAPT
SCHEMBL16613734 0.89 KDM4E (0.36) KDM4EL3MBTL1ALDH1A1ATMMAPT
SCHEMBL16613573 0.87 KDM4E (0.35) KDM4EL3MBTL1ALDH1A1ATMMAPT
SCHEMBL16613604 0.87 KDM4E (0.36) KDM4EL3MBTL1ALDH1A1ATMMAPT
SCHEMBL16613733 0.87 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1ATMMAPT
SCHEMBL16613603 0.85 KDM4E (0.36) KDM4EL3MBTL1ALDH1A1ATMMAPT
SCHEMBL16613593 0.84 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1ATMMAPT
SCHEMBL16613365 0.84 TUBB4A (0.34) KDM4EL3MBTL1ALDH1A1ATMMAPT

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