SCHEMBL17643136

SCHEMBL17643136

O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc2ccc3ccccc3c2c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ GAA P10253 2/20 0.67
▸ MAPT P10636 5/20 0.63
▸ HSP90AA1 P07900 1/20 0.63
▸ ALDH1A1 P00352 9/20 0.59
▸ HPGD P15428 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ AKT1 P31749 1/20 0.56
▸ RAB9A P51151 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HTT P42858 1/20 0.54

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 0.89 KMT2A (0.71) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643225 0.85 KMT2A (0.84) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643148 0.85 KMT2A (0.74) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643205 0.84 KMT2A (0.82) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL21658301 0.84 MEN1 (0.68) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643152 0.84 MEN1 (0.64) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL14571460 0.84 KMT2A (0.80) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL21658048 0.81 KMT2A (0.72) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL28324629 0.81 ALDH1A1 (0.84) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643209 0.81 MEN1 (0.80) 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
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