SCHEMBL23738731

SCHEMBL23738731

c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3O4)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23739086 0.97 SIRT2 (0.32) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL23738883 0.94 CYP1A1 (0.30)
SCHEMBL23185107 0.94 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL23738729 0.92
SCHEMBL23738907 0.92 JAK2 (0.31)
SCHEMBL23738908 0.92
SCHEMBL17516164 0.92 SIRT2 (0.34) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL23739045 0.91
SCHEMBL23184533 0.91 CYP1A1 (0.31)
SCHEMBL23183987 0.91 KDM4E (0.32) 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-3388438-B1 SPIRO-STRUCTURED COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 EP disclosed