SCHEMBL16613289

SCHEMBL16613289

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.36
KMT2A Q03164 4/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
IL1R1 P14778 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ADORA2A P29274 1/20 0.33
NUDT1 P36639 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
SCHEMBL16613256 0.97 L3MBTL1 (0.39) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613313 0.92 KDM4E (0.37) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613364 0.91 KDM4E (0.36) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613518 0.91 KDM4E (0.40) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613265 0.90 L3MBTL1 (0.37) KDM4EL3MBTL1ATMALDH1A1NPSR1
SCHEMBL16613311 0.90 KDM4E (0.37) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613637 0.90 L3MBTL1 (0.39) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613273 0.88 KDM4E (0.34) KDM4EL3MBTL1ATMALDH1A1KMT2A
SCHEMBL16613247 0.88 KDM4E (0.34) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613632 0.88 KDM4E (0.33) KDM4EL3MBTL1ATMALDH1A1HPGD

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