SCHEMBL17643149

SCHEMBL17643149

O=c1c2ccccc2nc(-c2cccc(-c3nc4ccccc4c(=O)n3-c3ccccc3)c2)n1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
MEN1 O00255 3/20 0.74
GAA P10253 2/20 0.74
MAPT P10636 2/20 0.69
HSP90AA1 P07900 1/20 0.69
ALDH1A1 P00352 9/20 0.66
LMNA P02545 2/20 0.64
HTT P42858 1/20 0.63
POLB P06746 3/20 0.61
HPGD P15428 2/20 0.61
KDM4E B2RXH2 1/20 0.61
PLA2G1B P04054 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
AKT1 P31749 2/20 0.57
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MDM2 Q00987 1/20 0.56

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
SCHEMBL17643150 0.94 ALDH1A1 (0.69) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643146 0.92 MEN1 (0.72) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL21658050 0.92 MEN1 (0.72) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL14571460 0.92 KMT2A (0.80) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643225 0.91 KMT2A (0.84) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643407 0.91 MEN1 (0.63) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17642999 0.90 MEN1 (0.66) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL22736782 0.90 KMT2A (0.66) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643205 0.89 KMT2A (0.82) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17642979 0.89 MEN1 (0.68) KMT2AMEN1GAAMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197982-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed
US-10544360-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
WO-2016045765-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-03-31 WO disclosed