SCHEMBL16613610

SCHEMBL16613610

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)nc4ccoc34)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.31
PIK3CA P42336 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
L3MBTL1 Q9Y468 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
SCHEMBL16613752 0.98 PIK3CD (0.32) PIK3CDPIK3CAKDM4EALDH1A1MAPT
SCHEMBL16613742 0.94 PIK3CD (0.31) PIK3CDPIK3CA
SCHEMBL16613646 0.94 PIK3CD (0.30) PIK3CDPIK3CA
SCHEMBL16613663 0.91 ENPP3 (0.30)
SCHEMBL16613662 0.91
SCHEMBL16613761 0.91 PDE5A (0.30)
SCHEMBL15596399 0.88 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613669 0.88
SCHEMBL16613767 0.88 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL16613609 0.87 DUSP3 (0.30)

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