SCHEMBL10055249

SCHEMBL10055249

C1=CCC2C(=C1)c1ccccc1N2c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC4 P56524 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN1 P18031 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
SCHEMBL4926948 0.93 KDM4E (0.36) KDM4EATML3MBTL1HDAC4PTPN1
SCHEMBL24969796 0.86 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL15946095 0.86 KDM4E (0.30) KDM4EATML3MBTL1
SCHEMBL10055307 0.84 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL25445587 0.82 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL13757295 0.82 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL10283488 0.81 PTGER4 (0.32) KDM4EATML3MBTL1
SCHEMBL25660803 0.80 — —
SCHEMBL12957242 0.79 — —
SCHEMBL23299546 0.78 TSPO (0.30) HDAC4

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-2012060234-A1 XANTHONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-10 — — WO disclosed
EP-2275409-A1 Bipiridine derivative and organic electroluminescence element containing the same Yamagata Promotional Organization for Industrial Technology (JP) 2011-01-19 — — EP disclosed
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