SCHEMBL16613326

SCHEMBL16613326

c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5cocc45)cc3)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.36
ENPP3 O14638 1/20 0.36
FLT3 P36888 3/20 0.32
BMX P51813 2/20 0.32
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
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
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
SCHEMBL16613303 0.92 FLT3 (0.31) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL16613287 0.91 ALDH1A1 (0.31) FLT3BMXKDM4EALDH1A1HPGD
SCHEMBL16613288 0.90 ALDH1A1 (0.39) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613286 0.90 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613350 0.89
SCHEMBL16613386 0.85 TUBB4A (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613543 0.84 FLT3 (0.32) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL16613387 0.84 ALDH1A1 (0.34) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL17864098 0.84 ALDH1A1 (0.40) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL19450598 0.83 ALDH1A1 (0.45) ENPP1ENPP3KDM4EALDH1A1HPGD

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