SCHEMBL12286336

SCHEMBL12286336

Nc1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ IL1R1 P14778 1/20 0.32
▸ HTR5A P47898 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
SCHEMBL14050165 0.90 KDM4E (0.47) L3MBTL1KDM4EATM
SCHEMBL12153423 0.88 L3MBTL1 (0.38) L3MBTL1KDM4EATMMEN1ALDH1A1
SCHEMBL12939244 0.88 L3MBTL1 (0.48) L3MBTL1KDM4EATMMEN1ALDH1A1
SCHEMBL23048270 0.86 ACHE (0.40) HTR6L3MBTL1KDM4EATMMEN1
SCHEMBL21779718 0.86 L3MBTL1 (0.40) L3MBTL1KDM4EATMMEN1ALDH1A1
SCHEMBL257569 0.86 KDM4E (0.43) L3MBTL1KDM4EATM
SCHEMBL12180924 0.86 KDM4E (0.36) L3MBTL1KDM4EATM
SCHEMBL12325039 0.86 ACHE (0.41) HTR6L3MBTL1KDM4EATMMEN1
SCHEMBL22781013 0.85 MAPT (0.39) HTR6L3MBTL1KDM4EATMMEN1
SCHEMBL21539289 0.83 ALDH1A1 (0.39) L3MBTL1KDM4EATMMEN1ALDH1A1

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
WO-2016129819-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-08-18 — — WO disclosed
WO-2011132866-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-10-27 — — WO disclosed
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