SCHEMBL30454537

SCHEMBL30454537

Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)nc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.70
CSF1R P07333 3/20 0.58
ACHE P22303 3/20 0.52
BCHE P06276 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
TNK2 Q07912 1/20 0.43
TGFBR1 P36897 1/20 0.43

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
SCHEMBL488104 1.00 MET (0.70) METCSF1RACHEBCHEMAOA
SCHEMBL487852 0.91 MET (0.65) METCSF1RACHEBCHEMAOA
SCHEMBL30454825 0.91 MET (0.65) METCSF1RACHEBCHEMAOA
SCHEMBL27650267 0.86 CSF1R (0.56) METCSF1RKDM4EALDH1A1
SCHEMBL487596 0.82 MET (1.00) METACHEBCHEMAOAMAOB
SCHEMBL27630100 0.81 MET (0.60) METACHEBCHEMAOAMAOB
SCHEMBL488652 0.77 CSF1R (0.67) METCSF1RRAB9AKDM4E
SCHEMBL30454422 0.77 CSF1R (0.67) METCSF1RRAB9AKDM4E
SCHEMBL30453737 0.77 MET (0.86) METACHENPC1RAB9AADORA2A
SCHEMBL488229 0.77 MET (0.86) METACHENPC1RAB9AADORA2A

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