SCHEMBL27045679

SCHEMBL27045679

CNc1c(C)cc(I)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.33
APP P05067 1/20 0.33
PKM P14618 1/20 0.32
ACHE P22303 2/20 0.31
MAPT P10636 1/20 0.30
L3MBTL4 Q8NA19 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
PGK1 P00558 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
SCHEMBL27045865 0.87 APP (0.36) APPACHEMAPTPGK1
SCHEMBL27045746 0.78 PGK1 (0.36) APPMAPTPGK1
SCHEMBL27045682 0.78 FLT1 (0.34) APPACHE
SCHEMBL27049230 0.78 FFAR4 (0.34) FFAR4
SCHEMBL27049106 0.74 LRRK2 (0.39)
SCHEMBL24327418 0.74 ACHE (0.36) ACHEMAPT
SCHEMBL15183446 0.74 CYP3A4 (0.38) ACHEMAPT
SCHEMBL15183455 0.72 ACHE (0.50) ACHEMAPT
SCHEMBL8706878 0.72 ACHE (0.54) FFAR4PKMACHEMAPTL3MBTL4
SCHEMBL12715606 0.71 MAPT (0.45) ACHEMAPT

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-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed