SCHEMBL30453471

SCHEMBL30453471

Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)s2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.77
CSF1R P07333 2/20 0.47
JAK2 O60674 1/20 0.41
MAP4K3 Q8IVH8 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40

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
SCHEMBL488510 1.00 MET (0.77) METCSF1RJAK2MAP4K3HRH3
SCHEMBL30453391 0.87 MET (1.00) METCSF1R
SCHEMBL487984 0.87 MET (1.00) METCSF1R
SCHEMBL30454847 0.87 MET (1.00) METCSF1R
SCHEMBL5496614 0.87 MET (1.00) METCSF1R
SCHEMBL487809 0.87 MET (1.00) METCSF1R
SCHEMBL488332 0.86 MET (0.60) METCSF1RHRH3
SCHEMBL30452967 0.86 MET (0.60) METCSF1RHRH3
SCHEMBL488330 0.86 MET (0.60) METCSF1RHRH3
SCHEMBL487656 0.85 MET (0.84) METCSF1R

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed