SCHEMBL21636079

SCHEMBL21636079

O=c1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cccc43)ccc2n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
BRCA1 P38398 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 1/20 0.37
MAPK14 Q16539 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ESR1 P03372 1/20 0.36
ESRRA P11474 1/20 0.36
ESR2 Q92731 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL26045612 0.94 KMT2A (0.43) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL21636121 0.94 MAPK1 (0.47) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL21636031 0.93 PDE10A (0.38) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL21636112 0.92 MAPK1 (0.41) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL26047893 0.90 MAPK1 (0.54) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL21636097 0.89 MAPK1 (0.47) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL20227629 0.88 MAPK1 (0.56) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL21636060 0.88 MAPK1 (0.56) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL26042863 0.88 MAPK1 (0.56) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL20227624 0.88 MAPK1 (0.59) MAPK1KMT2AMEN1ALDH1A1POLB

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