SCHEMBL17643138

SCHEMBL17643138

O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ GAA P10253 2/20 0.71
▸ MAPT P10636 5/20 0.66
▸ HSP90AA1 P07900 1/20 0.66
▸ ALDH1A1 P00352 9/20 0.61
▸ LMNA P02545 1/20 0.61
▸ POLB P06746 2/20 0.59
▸ AKT1 P31749 1/20 0.58
▸ RAB9A P51151 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HTT P42858 1/20 0.56
▸ ESR1 P03372 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
SCHEMBL17643136 0.89 MEN1 (0.67) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643225 0.88 KMT2A (0.84) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643148 0.88 KMT2A (0.74) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643205 0.87 KMT2A (0.82) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643152 0.86 MEN1 (0.64) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL21658301 0.86 MEN1 (0.68) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL14571460 0.86 KMT2A (0.80) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL17643019 0.86 MEN1 (0.71) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL21658132 0.85 MEN1 (0.66) KMT2AMEN1GAAMAPTHSP90AA1
SCHEMBL28324629 0.84 ALDH1A1 (0.84) 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
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