SCHEMBL23020092

SCHEMBL23020092

OB(O)c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ MGLL Q99685 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 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
SCHEMBL14050165 0.86 KDM4E (0.47) KDM4EATML3MBTL1
SCHEMBL12153423 0.85 L3MBTL1 (0.38) KDM4EATML3MBTL1
SCHEMBL12939244 0.84 L3MBTL1 (0.48) KDM4EATML3MBTL1
SCHEMBL12180924 0.82 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL21779718 0.82 L3MBTL1 (0.40) KDM4EATML3MBTL1MGLL
SCHEMBL12286336 0.82 HTR6 (0.38) KDM4EATML3MBTL1
SCHEMBL23048270 0.82 ACHE (0.40) KDM4EATML3MBTL1
SCHEMBL257569 0.82 KDM4E (0.43) KDM4EATML3MBTL1
SCHEMBL12325039 0.82 ACHE (0.41) KDM4EATML3MBTL1
SCHEMBL12963948 0.82 KDM4E (0.40) KDM4EATML3MBTL1

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-3392242-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-02-24 — — EP disclosed
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