SCHEMBL21622860

SCHEMBL21622860

c1ccc(-c2cccc(Cc3cc4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc34)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TSPO P30536 4/20 0.35
▸ MPO P05164 3/20 0.35
▸ DNM1 Q05193 1/20 0.33
▸ PLA2G10 O15496 2/20 0.33
▸ IL1R1 P14778 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ WNK1 Q9H4A3 1/20 0.31

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
SCHEMBL24489657 0.90 L3MBTL1 (0.44) L3MBTL1KDM4EATMTSPOIL1R1
SCHEMBL27265472 0.82 KDM4E (0.41) L3MBTL1KDM4EATMTSPODNM1
SCHEMBL15479941 0.81 ATM (0.44) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL15479773 0.81 ATM (0.44) L3MBTL1KDM4EATMTSPODNM1
SCHEMBL16373514 0.81 ATM (0.52) L3MBTL1KDM4EATMTSPODNM1
SCHEMBL16303803 0.81 ATM (0.52) L3MBTL1KDM4EATMTSPODNM1
SCHEMBL15479938 0.81 ATM (0.52) L3MBTL1KDM4EATMTSPODNM1
SCHEMBL15479817 0.80 ATM (0.42) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL22145882 0.80 ATM (0.42) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL19151984 0.80 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPODNM1

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-3820966-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-08 — — EP disclosed
WO-2020011686-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-16 — — WO disclosed
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