SCHEMBL16613291

SCHEMBL16613291

c1ccc(-n2cc3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
FLT3 P36888 1/20 0.31
BMX P51813 1/20 0.31
LMNA P02545 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
SCHEMBL16613377 0.92 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613314 0.92 CNR1 (0.31) KDM4EL3MBTL1
SCHEMBL16613267 0.92 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613272 0.92 KDM4E (0.35) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613266 0.92 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613296 0.90 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613378 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16613270 0.86 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL16613268 0.86 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613316 0.84 MAPT (0.31) 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