SCHEMBL31583016

SCHEMBL31583016

COc1cc(CCBr)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.62
LOX P28300 3/20 0.62
FFAR1 O14842 1/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
SLC13A5 Q86YT5 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
PLA2G7 Q13093 1/20 0.36
NR3C2 P08235 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ACACB O00763 1/20 0.34
GRM2 Q14416 1/20 0.34
MMP12 P39900 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
SCHEMBL14486857 1.00 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL17342 0.85 LOXL2 (0.67) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL29975842 0.85 LOXL2 (0.67) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL12093687 0.83 LOXL2 (0.65) LOXL2LOXFFAR1GSK3AGSK3B
Bromide SCHEMBL13858041 0.83 LOXL2 (0.65) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL2497237 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL22336235 0.81 LOXL2 (0.68) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL12093676 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL6218599 0.81 LOXL2 (0.73) LOXL2LOXFFAR1
Hydrochloric Acid SCHEMBL2022971 0.80 LOXL2 (0.71) LOXL2LOXGSK3AGSK3B

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-2025104081-A1 TRIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed
WO-2025104092-A1 MODULATORS OF SEPTIN 6 FOR USE IN THE PREVENTION AND/OR TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed