SCHEMBL21444681

SCHEMBL21444681

CC1CCCc2c1c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HDAC4 P56524 1/20 0.38
▸ HTR6 P50406 2/20 0.36
▸ TSPO P30536 1/20 0.34

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
SCHEMBL22058704 0.83 SIGMAR1 (0.33) KDM4EATML3MBTL1SIGMAR1HTR6
SCHEMBL25985760 0.79 KDM4E (0.40) KDM4EATML3MBTL1HDAC4
SCHEMBL12153701 0.76 — —
SCHEMBL22541948 0.75 SIGMAR1 (0.37) SIGMAR1HTR6TSPO
SCHEMBL2604854 0.75 CA1 (0.49) KDM4EATML3MBTL1HDAC4HTR6
SCHEMBL16674360 0.72 L3MBTL1 (0.73) KDM4EATML3MBTL1HDAC4
SCHEMBL20493956 0.72 L3MBTL1 (0.73) KDM4EATML3MBTL1HDAC4
SCHEMBL16674300 0.72 L3MBTL1 (0.73) KDM4EATML3MBTL1HDAC4
SCHEMBL29351940 0.72 L3MBTL1 (0.73) KDM4EATML3MBTL1HDAC4
SCHEMBL29349970 0.72 L3MBTL1 (0.73) KDM4EATML3MBTL1HDAC4

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
EP-3549944-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-10-09 — — EP disclosed
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