SCHEMBL23030641

SCHEMBL23030641

c1ccc(-n2c3ccccc3c3ccc(-c4nc5oc6ccccc6c5nc4-n4c5ccc6cccc7c6c5c5c6c(ccc54)oc4cccc-7c46)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL23030627 0.94 SIRT2 (0.34) SIRT2SIRT1LMNASMN1; SMN2NPSR1
SCHEMBL23030565 0.92 SIRT2 (0.32) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL23030692 0.91 SIRT2 (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL23030578 0.88 SIRT2 (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22988570 0.88 SIRT2 (0.34) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL23030652 0.88 CA12 (0.34) SIRT2SIRT1LMNASMN1; SMN2NPSR1
SCHEMBL23030635 0.88 HSP90AA1 (0.33) SIRT2SIRT1KDM4E
SCHEMBL23030636 0.88 CYP1A2 (0.33) SIRT2SIRT1KDM4E
SCHEMBL23030616 0.87 SIRT2 (0.34) SIRT2SIRT1LMNASMN1; SMN2NPSR1
SCHEMBL23030617 0.87 PRKDC (0.32) SIRT2SIRT1KDM4E

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-2021033980-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-25 WO disclosed