SCHEMBL16613611

SCHEMBL16613611

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4ccccc43)nc3ccoc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HPGD P15428 6/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
LMNA P02545 1/20 0.35
RORC P51449 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ATM Q13315 2/20 0.33
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL16613768 0.89 HPGD (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613308 0.89 KDM4E (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613375 0.89 KDM4E (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613671 0.87 HPGD (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613764 0.86 TUBB4A (0.34) ALDH1A1HPGDKDM4EMAPTPIK3CA
SCHEMBL16613763 0.86 TUBB4A (0.35) ALDH1A1HPGDKDM4EMAPTPIK3CA
SCHEMBL16613665 0.85 PIK3CA (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613613 0.85 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613672 0.84 ENPP1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613614 0.84 KDM4E (0.40) ALDH1A1HPGDKDM4EPIK3CAPIK3CD

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