SCHEMBL10052641

SCHEMBL10052641

O=C(c1ccccc1)c1cccc(-c2ccc3c(c2)-c2ccccc2C32c3cccc4c5ccccc5c5cccc2c5c34)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.44
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL6128488 0.93 PDK2 (0.44) PDK2TDP1ATML3MBTL1PBRM1
SCHEMBL10052595 0.91 PDK2 (0.40) PDK2TDP1ATML3MBTL1PBRM1
SCHEMBL15199493 0.91 PDK2 (0.39) PDK2TDP1ATML3MBTL1PBRM1
SCHEMBL6128516 0.90 PDK2 (0.48) PDK2TDP1ATML3MBTL1PBRM1
SCHEMBL10052642 0.85 PDK2 (0.54) PDK2TDP1ATML3MBTL1PBRM1
SCHEMBL6128490 0.85 PDK2 (0.48) PDK2TDP1ATML3MBTL1PBRM1
SCHEMBL10052592 0.84 PDK2 (0.42) PDK2TDP1ATML3MBTL1CNR2
SCHEMBL6128502 0.82 PDK2 (0.45) PDK2TDP1ATML3MBTL1PBRM1
SCHEMBL10052600 0.82 PDK2 (0.42) PDK2CNR2KMO
SCHEMBL15199483 0.78 PDK2 (0.33) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9991450-B2 Spiro[cyclopenta[def]triphenylene-4,9′-fluorene] compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2018-06-05 — — US disclosed
US-9991450-B2 Spiro[cyclopenta[def]triphenylene-4,9′-fluorene] compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2018-06-05 — — US disclosed
US-20130214267-A1 SPIRO[CYCLOPENTA[def]TRIPHENYLENE-4,9'-FLUORENE] COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-08-22 — — US disclosed
WO-2012056919-A1 SPIRO[CYCLOPENTA[def]TRIPHENYLENE-4,9'-FLUORENE] COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-03 — — WO disclosed
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