SCHEMBL17643229

SCHEMBL17643229

O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GAA P10253 2/20 0.63
MAPT P10636 3/20 0.59
HSP90AA1 P07900 1/20 0.59
ALDH1A1 P00352 9/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.53
HTT P42858 1/20 0.52
MDM2 Q00987 1/20 0.50
PDE10A Q9Y233 1/20 0.48
AKT1 P31749 1/20 0.48
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PLA2G1B P04054 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL17642982 1.00 MEN1 (0.63) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643197 0.98 MEN1 (0.66) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643226 0.93 MEN1 (0.62) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL21972960 0.91 MEN1 (0.61) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643228 0.89 KMT2A (0.73) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643205 0.87 KMT2A (0.82) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643225 0.83 KMT2A (0.84) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643012 0.82 MAPT (0.53) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643230 0.82 MAPT (0.49) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17943182 0.81 ESR1 (0.53) MEN1KMT2AGAAMAPTHSP90AA1

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