SCHEMBL30454825

SCHEMBL30454825

Nc1ncc(-c2cccc(OCCN3CCOCC3)c2)nc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.65
CSF1R P07333 3/20 0.56
ACHE P22303 2/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK9 P45984 2/20 0.45
MAPKAPK2 P49137 2/20 0.45
MAP4K4 O95819 1/20 0.45
NPC1 O15118 2/20 0.44
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
HDAC1 Q13547 1/20 0.42
SRC P12931 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42

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
SCHEMBL487852 1.00 MET (0.65) METCSF1RACHEKDM4EALDH1A1
SCHEMBL30454537 0.91 MET (0.70) METCSF1RACHEKDM4EALDH1A1
SCHEMBL488104 0.91 MET (0.70) METCSF1RACHEKDM4EALDH1A1
SCHEMBL30453737 0.84 MET (0.86) METACHEKDM4EALDH1A1TP53
SCHEMBL488229 0.84 MET (0.86) METACHEKDM4EALDH1A1TP53
SCHEMBL27650267 0.81 CSF1R (0.56) METCSF1RKDM4EALDH1A1
SCHEMBL488949 0.79 MET (0.61) METACHEKDM4EALDH1A1TP53
SCHEMBL487596 0.79 MET (1.00) METACHEKDM4EALDH1A1TP53
SCHEMBL27630240 0.76 MET (0.49) METACHEKDM4EALDH1A1TP53
SCHEMBL3822499 0.75 PIK3CD (0.52) METACHEKDM4ETP53TSHR

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