SCHEMBL17629396

SCHEMBL17629396

O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
MAPT P10636 2/20 0.70
HSP90AA1 P07900 1/20 0.70
ALDH1A1 P00352 12/20 0.67
HTT P42858 1/20 0.67
GAA P10253 3/20 0.67
LMNA P02545 1/20 0.64
AKT1 P31749 2/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MDM2 Q00987 1/20 0.61
POLB P06746 3/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
IDO1 P14902 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
SCHEMBL17643007 0.94 MEN1 (0.70) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL17643209 0.92 MEN1 (0.80) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL17643227 0.91 MEN1 (0.83) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL17643298 0.91 MEN1 (0.83) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL14571460 0.89 KMT2A (0.80) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL17643186 0.87 ALDH1A1 (0.61) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL7770196 0.87 ALDH1A1 (0.86) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL17643014 0.85 KMT2A (0.74) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL17643401 0.85 MEN1 (0.70) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL17642999 0.85 MEN1 (0.66) MEN1KMT2AMAPTHSP90AA1ALDH1A1

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 7 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
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
US-10544360-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
EP-3197982-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2017-08-02 EP disclosed
WO-2016045765-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-03-31 WO disclosed
WO-2016045765-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-03-31 WO disclosed