SCHEMBL29905100

SCHEMBL29905100

CC(C)(C)[S@+]([O-])/N=C/c1cccc(Br)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR3 P46089 1/20 0.33

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
SCHEMBL14831517 0.84 GPR3 (0.34) GAAGPR3
SCHEMBL14831518 0.84 GPR3 (0.34) GAAGPR3
SCHEMBL14831519 0.84 GPR3 (0.34) GAAGPR3
SCHEMBL14831516 0.84 GPR3 (0.34) GAAGPR3
SCHEMBL23579547 0.84 GPR3 (0.40) LMNAGAAMAPTSMN1; SMN2GPR3
SCHEMBL25232450 0.84 GPR3 (0.40) LMNAGAAMAPTSMN1; SMN2GPR3
SCHEMBL31267503 0.84 GPR3 (0.40) LMNAGAAMAPTSMN1; SMN2GPR3
SCHEMBL25472036 0.84 GPR3 (0.40) LMNAGAAMAPTSMN1; SMN2GPR3
SCHEMBL23579546 0.84 GPR3 (0.40) LMNAGAAMAPTSMN1; SMN2GPR3
SCHEMBL25232452 0.84 GPR3 (0.40) LMNAGAAMAPTSMN1; SMN2GPR3

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-2022212546-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2022-10-06 WO disclosed
WO-2022212531-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2022-10-06 WO disclosed