SCHEMBL27045682

SCHEMBL27045682

CNc1c(F)cc(I)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.34
MAP2K1 Q02750 1/20 0.34
APP P05067 1/20 0.32
ACHE P22303 2/20 0.31
BCHE P06276 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SLC6A4 P31645 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 0.86 APP (0.36) APPACHE
SCHEMBL27045800 0.80 EPHX2 (0.34) SLC6A4
SCHEMBL28300419 0.80 RAPGEF4 (0.38) FLT1MAP2K1TAS1R3TAS1R1TUBB1
SCHEMBL27045679 0.78 FFAR4 (0.33) APPACHE
SCHEMBL27045746 0.77 PGK1 (0.36) APPLMNA
SCHEMBL27049106 0.77 LRRK2 (0.39)
SCHEMBL24463622 0.72
SCHEMBL27045747 0.72 TTR (0.36)
SCHEMBL27045685 0.69 APP (0.38) FLT1APPTAS1R3TAS1R1LMNA
SCHEMBL25153444 0.69 TAAR1 (0.47) APPMAPK1

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