SCHEMBL17643152

SCHEMBL17643152

O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc2oc3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3c2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ GAA P10253 2/20 0.64
▸ MAPT P10636 7/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ ALDH1A1 P00352 9/20 0.56
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 2/20 0.54
▸ AKT1 P31749 1/20 0.54
▸ RAB9A P51151 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HTT P42858 1/20 0.52

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
SCHEMBL17643138 0.86 KMT2A (0.71) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL21973509 0.85 MAPT (0.54) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643136 0.84 MEN1 (0.67) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643157 0.83 MEN1 (0.54) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL21973007 0.83 MAPT (0.51) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643225 0.83 KMT2A (0.84) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL21658300 0.83 GAA (0.47) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643148 0.83 KMT2A (0.74) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL822745 0.82 ESR1 (0.54) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643205 0.82 KMT2A (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016045765-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-03-31 — — WO disclosed
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