SCHEMBL21636006

SCHEMBL21636006

O=c1c2ccccc2c2cnc3ccccc3c2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
PDE10A Q9Y233 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PIK3CA P42336 3/20 0.38
MTOR P42345 1/20 0.38
ACVR1 Q04771 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL14933480 0.84 MAPK1 (0.41) MEN1KMT2AGAAPDE10AMAPT
SCHEMBL15945657 0.77 KDM4E (0.40) MEN1KMT2AGAAPDE10AMAPT
SCHEMBL15945654 0.76 L3MBTL1 (0.42) MEN1KMT2AGAAPDE10AMAPT
SCHEMBL26046196 0.76 KMT2A (0.49) MEN1KMT2AGAAPDE10AMAPT
SCHEMBL21636091 0.76 MAPK1 (0.47) MEN1KMT2AGAAPDE10AMAPT
SCHEMBL26046110 0.75 KMT2A (0.48) MEN1KMT2AGAAPDE10AMAPT
SCHEMBL21636059 0.74 MAPK1 (0.49) MEN1KMT2AGAAPDE10AMAPT
SCHEMBL26042851 0.74 MAPK1 (0.49) MEN1KMT2AGAAPDE10AMAPT
SCHEMBL15945662 0.74 PIK3CA (0.40) MAPTLMNAPIK3CAMTORACVR1
SCHEMBL15945663 0.73 PIK3CA (0.40) MEN1KMT2AMAPTPIK3CAMTOR

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