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Sugi Predict / Compounds / SCHEMBL20780504

SCHEMBL20780504

SCHEMBL20780504

c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11ccc(-c%13cccc(-c%14ccc%15c%16ccccc%16n(-c%16ccccc%16)c%15c%14)c%13)cc%11n%12-c%11ccccc%11)ccc%109)c8)c7)c6)cc5)c4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HDAC4 P56524 1/20 0.35
▸ MAPK14 Q16539 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ IL1R1 P14778 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALK Q9UM73 3/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ DNM1 Q05193 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
SCHEMBL25671995 0.99 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC4MAPK14
SCHEMBL21894741 0.99 L3MBTL1 (0.44) L3MBTL1KDM4EATMHDAC4MAPK14
SCHEMBL25671993 0.98 L3MBTL1 (0.43) L3MBTL1KDM4EATMHDAC4MAPK14
SCHEMBL22590235 0.95 L3MBTL1 (0.41) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL20654998 0.95 L3MBTL1 (0.43) L3MBTL1KDM4EATMHDAC4MAPK14
SCHEMBL21928049 0.95 L3MBTL1 (0.47) L3MBTL1KDM4EATMHDAC4MAPK14
SCHEMBL20655021 0.94 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL26768030 0.93 L3MBTL1 (0.43) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL20006904 0.93 L3MBTL1 (0.43) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL22172882 0.93 L3MBTL1 (0.45) L3MBTL1KDM4EATMHDAC4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190074467-A1 SOLVENT COATABLE OLED EMITTER COMPOSITION CONTAINING NON-PLASMONIC MOLECULAR NOBLE METAL NANOPARTICLES AND EMITTER MATERIALS IN NONCRYSTALLIZABLE MOLECULAR ORGANIC SEMICONDUCTORS MOLECULAR GLASSES, INC. (US) 2019-03-07 — — US disclosed