SCHEMBL30454763

SCHEMBL30454763

Nc1ncc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)cc1OCc1ccccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 1.00
ALK Q9UM73 2/20 0.52
CSF1R P07333 2/20 0.51
ATR Q13535 1/20 0.51
MAP4K3 Q8IVH8 1/20 0.49

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
SCHEMBL488384 1.00 MET (1.00) METALKCSF1RATRMAP4K3
SCHEMBL30453981 1.00 MET (1.00) METALKCSF1RATRMAP4K3
SCHEMBL487882 1.00 MET (1.00) METALKCSF1RATRMAP4K3
SCHEMBL488045 0.92 MET (0.84) METALKCSF1RATR
SCHEMBL30453414 0.92 MET (0.84) METALKCSF1RATR
SCHEMBL488004 0.92 MET (0.84) METALKCSF1RATR
SCHEMBL30453749 0.92 MET (0.84) METALKCSF1RATR
SCHEMBL5493101 0.92 MET (0.84) METALKCSF1RATR
SCHEMBL489607 0.92 MET (0.84) METALKCSF1RATR
SCHEMBL487670 0.89 MET (0.83) METALKCSF1RATR

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