SCHEMBL22868652

SCHEMBL22868652

c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c5c(ccc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.38
KDM4E B2RXH2 8/20 0.38
LMNA P02545 5/20 0.38
GAA P10253 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 6/20 0.36
ATM Q13315 1/20 0.36
TLR9 Q9NR96 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.35
PDK2 Q15119 1/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
AKT1 P31749 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL22868996 0.96 L3MBTL1 (0.39) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL22869037 0.92 L3MBTL1 (0.39) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL22868659 0.88 KDM4E (0.32) L3MBTL1KDM4ELMNAGAAKMT2A
SCHEMBL22868644 0.88 L3MBTL1 (0.40) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL22868696 0.87 PDK2 (0.37) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL22868638 0.85 L3MBTL1 (0.44) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL22869009 0.85 KDM4E (0.33) L3MBTL1KDM4ELMNAGAAKMT2A
SCHEMBL22869033 0.85 TDP1 (0.41) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL22868852 0.85 PDK2 (0.36) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL22869075 0.84 MEN1 (0.35) L3MBTL1KDM4ELMNATDP1KMT2A

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
US-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 US disclosed