SCHEMBL21636060

SCHEMBL21636060

O=c1c2ccccc2c2cc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)ccc2n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
BRCA1 P38398 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
PGR P06401 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
BRD4 O60885 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL20227629 1.00 MAPK1 (0.56) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL26042863 1.00 MAPK1 (0.56) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL21319432 0.97 MAPK1 (0.59) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15999733 0.97 MAPK1 (0.59) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL20227624 0.97 MAPK1 (0.59) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL26047893 0.95 MAPK1 (0.54) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL21636059 0.94 MAPK1 (0.49) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL21636000 0.94 MAPK1 (0.49) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL26042859 0.94 MAPK1 (0.49) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL20227636 0.94 MAPK1 (0.49) MAPK1KMT2AMEN1L3MBTL1ALDH1A1

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