SCHEMBL16870569

SCHEMBL16870569

c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)sc3ccc4ccccc4c35)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
KDM4E B2RXH2 4/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
PTGES O14684 1/20 0.32
ALDH1A1 P00352 3/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DHODH Q02127 1/20 0.31
JUN P05412 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
SCHEMBL16870585 0.94 MEN1 (0.33) L3MBTL1KDM4ELMNATDP1MEN1
SCHEMBL16870796 0.92 L3MBTL1 (0.33) L3MBTL1KDM4EATMLMNAMEN1
SCHEMBL16870772 0.92 LMNA (0.33) L3MBTL1KDM4ELMNATDP1MEN1
SCHEMBL19636253 0.90 ATM (0.41) L3MBTL1KDM4EATMLMNAMEN1
SCHEMBL21941879 0.90 LMNA (0.32) L3MBTL1KDM4ELMNATDP1MEN1
SCHEMBL22277124 0.89 HSD17B10 (0.34) KDM4EMEN1KMT2AGAAPTGES
SCHEMBL17990945 0.89 KDM4E (0.36) L3MBTL1KDM4EATMLMNAPTGES
SCHEMBL17990911 0.88 KDM4E (0.38) L3MBTL1KDM4EATMPTGES
SCHEMBL17991013 0.84 ALDH1A1 (0.41) L3MBTL1KDM4EATMLMNATDP1
SCHEMBL19636251 0.84

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-2015099486-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-07-02 WO disclosed