SCHEMBL17643226

SCHEMBL17643226

O=c1c2ccccc2nc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)n1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
HSP90AA1 P07900 1/20 0.62
GAA P10253 2/20 0.59
ALDH1A1 P00352 10/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.54
POLB P06746 3/20 0.53
AKT1 P31749 2/20 0.50
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MDM2 Q00987 1/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PLA2G1B P04054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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 0.93 MEN1 (0.63) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL17643229 0.93 MEN1 (0.63) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL17643228 0.91 KMT2A (0.73) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL17643197 0.91 MEN1 (0.66) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL17643012 0.87 MAPT (0.53) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL21972960 0.86 MEN1 (0.61) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL17643149 0.85 KMT2A (0.74) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL17643224 0.84 MAPT (0.52) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL14330715 0.84 ESR1 (0.52) MEN1KMT2AMAPTHSP90AA1GAA
SCHEMBL17643230 0.82 MAPT (0.49) MEN1KMT2AMAPTHSP90AA1GAA

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