SCHEMBL21636089

SCHEMBL21636089

O=c1c2ccccc2c2ccccc2n1-c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MGLL Q99685 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
BRCA1 P38398 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
PGR P06401 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL23876411 0.91 MAPK1 (0.47) MAPK1KMT2AMEN1MGLLGSK3A
SCHEMBL14933307 0.86 MAPK1 (0.57) MAPK1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL29514822 0.86 KDM4E (0.59) KMT2AMEN1MGLLGSK3AGSK3B
SCHEMBL258888 0.86 KDM4E (0.59) KMT2AMEN1MGLLGSK3AGSK3B
SCHEMBL15783447 0.83 MGLL (0.47) KMT2AMEN1MGLLGSK3AGSK3B
SCHEMBL14920822 0.81 MAPK1 (0.55) MAPK1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL3427228 0.81 MAPK1 (0.76) MAPK1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL23876412 0.81 MAPK1 (0.59) MAPK1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL20232251 0.81 MAPK1 (0.59) MAPK1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL20715071 0.80 L3MBTL1 (0.52) KMT2AMEN1MGLLGSK3AGSK3B

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-3823958-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
WO-2020016264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-23 WO disclosed