SCHEMBL16613543

SCHEMBL16613543

c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5cscc45)cc3)cccc2c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.32
BMX P51813 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
NQO2 P16083 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL16613455 0.92 NQO2 (0.31) FLT3BMXKDM4EALDH1A1MAPT
SCHEMBL16613361 0.91 ALDH1A1 (0.32) KDM4EALDH1A1MAPTHPGD
SCHEMBL16613233 0.91 ALDH1A1 (0.35) FLT3BMXENPP3ENPP1KDM4E
SCHEMBL16613542 0.90 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613360 0.90 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613456 0.89
SCHEMBL16613481 0.88 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613362 0.86 TUBB4A (0.32) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613482 0.84 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613326 0.84 ENPP1 (0.36) FLT3BMXENPP3ENPP1KDM4E

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