SCHEMBL23339094

SCHEMBL23339094

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
HCRTR1 O43613 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
MAPT P10636 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
SCHEMBL25964955 0.94 KDM4E (0.34) BACE1HCRTR1LMNASMN1; SMN2TP53
SCHEMBL24882794 0.94 BACE1 (0.33) BACE1HCRTR1SMN1; SMN2TP53KDM4E
SCHEMBL27445266 0.93 SMN1; SMN2 (0.34) BACE1LMNASMN1; SMN2KDM4EATM
SCHEMBL22050444 0.93 KDM4E (0.35) BACE1LMNASMN1; SMN2TP53KDM4E
SCHEMBL24217919 0.93 SMN1; SMN2 (0.33) LMNASMN1; SMN2TP53KDM4EATM
SCHEMBL24078292 0.92 KDM4E (0.33) BACE1TP53KDM4EATML3MBTL1
SCHEMBL27445287 0.92 LMNA (0.33) BACE1LMNASMN1; SMN2KDM4EATM
SCHEMBL27445261 0.92 MMP12 (0.34) HCRTR1LMNASMN1; SMN2KDM4EATM
SCHEMBL23339093 0.92 BACE1 (0.34) BACE1HCRTR1LMNASMN1; SMN2TP53
SCHEMBL16805676 0.92 BACE1 (0.35) BACE1LMNATP53KDM4EATM

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-2021085969-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2021-05-06 WO disclosed