SCHEMBL24765836

SCHEMBL24765836

c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5cccc6sc7ccccc7c56)ccc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDE6D O43924 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ PTGES O14684 1/20 0.30

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
SCHEMBL24765752 0.97 PDE6D (0.32) KDM4EATML3MBTL1PDE6DTSPO
SCHEMBL24766156 0.96 KDM4E (0.32) KDM4EATML3MBTL1PDE6DCYP1A1
SCHEMBL24765842 0.96 KDM4E (0.38) KDM4EATML3MBTL1PTGES
SCHEMBL24765789 0.95 PDE6D (0.31) PDE6D
SCHEMBL24766160 0.95 KDM4E (0.33) KDM4EATML3MBTL1CYP1A1CYP1B1
SCHEMBL24765559 0.95 PIK3CD (0.32) KDM4EATML3MBTL1
SCHEMBL24765853 0.95 KDM4E (0.33) KDM4EATML3MBTL1TSPOCYP1A1
SCHEMBL24766153 0.93 CYP1A1 (0.31) PDE6DCYP1A1CYP1B1
SCHEMBL24765761 0.93 KDM4E (0.34) KDM4EATML3MBTL1PTGES
SCHEMBL24765758 0.92 TSPO (0.30) TSPO

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
WO-2022260443-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-12-15 — — WO disclosed
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