SCHEMBL17642976

SCHEMBL17642976

O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ GAA P10253 2/20 0.74
▸ ALDH1A1 P00352 7/20 0.64
▸ LMNA P02545 2/20 0.64
▸ MAPT P10636 4/20 0.61
▸ HSP90AA1 P07900 1/20 0.61
▸ POLB P06746 2/20 0.58
▸ HTT P42858 1/20 0.56
▸ MDM2 Q00987 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.53
▸ PLA2G1B P04054 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ AKT1 P31749 2/20 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
SCHEMBL17642975 0.96 MEN1 (0.72) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL17642979 0.93 MEN1 (0.68) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL17643225 0.93 KMT2A (0.84) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL17642980 0.93 MEN1 (0.65) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL17642988 0.91 GAA (0.70) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL17643144 0.90 MEN1 (0.65) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL21658322 0.90 KMT2A (0.70) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL17642972 0.89 MEN1 (0.60) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL17643205 0.89 KMT2A (0.82) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL21658301 0.88 MEN1 (0.68) MEN1KMT2AGAAALDH1A1LMNA

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
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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