SCHEMBL16613352

SCHEMBL16613352

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc4cocc34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
PDE5A O76074 2/20 0.35
LMNA P02545 1/20 0.35
ACP1 P24666 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCG2 Q9UNQ0 4/20 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
SCHEMBL16613396 0.89 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613304 0.89 MAPT (0.33) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL12014855 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613283 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613373 0.84 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613278 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613372 0.83 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL8819021 0.81 L3MBTL1 (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL29694525 0.81 L3MBTL1 (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613345 0.81 KDM4E (0.37) ALDH1A1KDM4EHPGDMAPTNPSR1

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