SCHEMBL17864153

SCHEMBL17864153

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc8ccccc8c7ccc6c54)c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
CYP19A1 P11511 1/20 0.34
HPRT1 P00492 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGES O14684 2/20 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
SCHEMBL17864171 0.93 KDM4E (0.33) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17864152 0.91 MEN1 (0.39) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL22596046 0.90 KDM4E (0.44) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL22596481 0.89 CYP1A1 (0.37) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17864149 0.89 MEN1 (0.40) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17809170 0.89 KDM4E (0.39) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17809197 0.89 KDM4E (0.42) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17809174 0.89 ATM (0.41) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17809155 0.88 KDM4E (0.38) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17809112 0.88 KDM4E (0.41) KDM4EATML3MBTL1MEN1KMT2A

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed