SCHEMBL22336235

SCHEMBL22336235

COc1cc(CCF)ccn1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.68
LOX P28300 4/20 0.68
FFAR1 O14842 1/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
SLC13A5 Q86YT5 1/20 0.36
GRM2 Q14416 1/20 0.36
PLA2G7 Q13093 1/20 0.36
NR3C2 P08235 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL6218599 0.85 LOXL2 (0.73) LOXL2LOXFFAR1KDM4EATM
Hydrochloric Acid SCHEMBL2022971 0.84 LOXL2 (0.71) LOXL2LOXGSK3AGSK3BKDM4E
Hydrochloric Acid SCHEMBL12802921 0.84 LOXL2 (0.71) LOXL2LOXGSK3AGSK3BKDM4E
SCHEMBL12093687 0.83 LOXL2 (0.65) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL21591576 0.82 LOXL2 (0.69) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL12093676 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL31583016 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL2497237 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL14486857 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL449200 0.81 LOXL2 (1.00) LOXL2LOX

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163406-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2020-08-13 WO disclosed
CN-110803977-A Method for preparing monofluoroalkyl substituted aromatic compound through reduction coupling 四川轻化工大学 2020-02-18 CN disclosed