SCHEMBL21658301

SCHEMBL21658301

O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc2c(c1)c1cc(-n3c(-c4ccccc4)nc4ccccc4c3=O)ccc1n2-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ GAA P10253 2/20 0.68
▸ MAPT P10636 3/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ ALDH1A1 P00352 10/20 0.60
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 1/20 0.58
▸ AKT1 P31749 2/20 0.57
▸ RAB9A P51151 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ POLB P06746 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MDM2 Q00987 1/20 0.53

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
SCHEMBL17643223 0.92 MEN1 (0.68) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL21658292 0.91 MEN1 (0.57) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17642987 0.90 MEN1 (0.65) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643302 0.90 MAPT (0.67) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17642980 0.89 MEN1 (0.65) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643144 0.89 MEN1 (0.65) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL21658322 0.89 KMT2A (0.70) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643400 0.89 MEN1 (0.63) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17643021 0.88 MEN1 (0.56) MEN1KMT2AGAAMAPTHSP90AA1
SCHEMBL17642976 0.88 MEN1 (0.74) 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 2 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
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