SCHEMBL6540748

SCHEMBL6540748

C1=C(NC2=Cc3cccc4cccc2c34)c2cccc3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
ALDH1A1 P00352 6/20 0.43
CES2 O00748 1/20 0.43
BCHE P06276 1/20 0.43
CES1 P23141 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TSHR P16473 3/20 0.41
ATM Q13315 3/20 0.41
S100A4 P26447 1/20 0.40
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
CYP3A4 P08684 2/20 0.38
PABPC1 P11940 2/20 0.38
DNMT1 P26358 1/20 0.38
HPGD P15428 3/20 0.37

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
SCHEMBL23300524 0.87 MAPT (0.50) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL6154836 0.79 MAPK1 (0.43) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL8712256 0.79 MAPK1 (0.47) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3124182 0.79 MEN1 (0.51) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3406520 0.79 MEN1 (0.47) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL8332159 0.76 MEN1 (0.41) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3406240 0.76 MAPT (0.45) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL4507358 0.76 MAPK1 (0.52) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL30357095 0.76 MAPK1 (0.52) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL131080 0.75 MAPK1 (0.55) MAPK1MEN1KMT2AMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed