SCHEMBL22011682

SCHEMBL22011682

CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC4 P56524 1/20 0.34
PTGER4 P35408 1/20 0.33
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
NPY5R Q15761 1/20 0.30

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
SCHEMBL17122265 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL13968573 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL17122278 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL13968570 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL2604806 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL13968574 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL17122264 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL17122269 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL13968571 0.99 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL13968577 0.99 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 WO disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 WO disclosed