SCHEMBL30453037

SCHEMBL30453037

CC1CN(Cc2c[nH]c3ccc(-c4cnc(N)c(OCc5c(F)ccc(F)c5Cl)n4)cc23)CC(C)O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.37
MET P08581 4/20 0.36
TLR7 Q9NYK1 2/20 0.36
S1PR1 P21453 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD4 P21917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAP4K3 Q8IVH8 2/20 0.33
LRRK2 Q5S007 1/20 0.33
ICMT O60725 1/20 0.32
MPO P05164 1/20 0.32
CYP2A13 Q16696 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL488448 1.00 CSF1R (0.37) CSF1RMETTLR7S1PR1L3MBTL1
SCHEMBL10216305 1.00 CSF1R (0.37) CSF1RMETTLR7S1PR1L3MBTL1
SCHEMBL30453085 0.88 S1PR1 (0.41) CSF1RMETS1PR1DRD4KDM4E
SCHEMBL488054 0.88 S1PR1 (0.41) CSF1RMETS1PR1DRD4KDM4E
SCHEMBL10215218 0.87 MET (0.45) METTLR7S1PR1DRD4KDM4E
SCHEMBL488169 0.87 MET (0.45) METTLR7S1PR1DRD4KDM4E
SCHEMBL488507 0.87 LRRK2 (0.41) CSF1RMETS1PR1DRD4LRRK2
SCHEMBL30453800 0.87 LRRK2 (0.41) CSF1RMETS1PR1DRD4LRRK2
SCHEMBL488471 0.87 S1PR1 (0.41) CSF1RMETS1PR1KDM4EICMT
SCHEMBL30453674 0.87 S1PR1 (0.41) CSF1RMETS1PR1KDM4EICMT

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