SCHEMBL16613768

SCHEMBL16613768

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3ccoc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 2/20 0.36
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
ADORA2A P29274 2/20 0.35
NUDT1 P36639 1/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL16613671 0.97 HPGD (0.41) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613665 0.92 PIK3CA (0.39) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613743 0.91 PIK3CA (0.38) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613611 0.89 ALDH1A1 (0.37) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613613 0.89 ALDH1A1 (0.37) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613399 0.88 KDM4E (0.40) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613305 0.88 HPGD (0.36) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613471 0.87 KDM4E (0.39) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613672 0.86 ENPP1 (0.40) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16613306 0.86 ALDH1A1 (0.35) HPGDKDM4EALDH1A1NPSR1MAPT

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