SCHEMBL30453737

SCHEMBL30453737

Nc1ncc(-c2cccc(OCCN3CCOCC3)c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.86
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
KDR P35968 1/20 0.47
ALK Q9UM73 1/20 0.46
NPC1 O15118 2/20 0.46
ACHE P22303 1/20 0.45
LTA4H P09960 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.43
BACE1 P56817 1/20 0.43
MAP4K4 O95819 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 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
SCHEMBL488229 1.00 MET (0.86) METKDM4EALDH1A1TSHRTP53
SCHEMBL487596 0.93 MET (1.00) METKDM4EALDH1A1TSHRTP53
SCHEMBL30454825 0.84 MET (0.65) METKDM4EALDH1A1TSHRTP53
SCHEMBL487852 0.84 MET (0.65) METKDM4EALDH1A1TSHRTP53
SCHEMBL488949 0.81 MET (0.61) METKDM4EALDH1A1TSHRTP53
SCHEMBL487711 0.81 MET (0.80) METKDM4EALDH1A1KDRALK
SCHEMBL487598 0.79 MET (0.76) METKDM4EALDH1A1KDRALK
SCHEMBL488061 0.78 MET (0.67) METMEN1MAPTKMT2AMAP4K4
SCHEMBL30454973 0.78 MET (0.67) METMEN1MAPTKMT2AMAP4K4
SCHEMBL488422 0.78 MET (0.61) METKDM4EMEN1LMNAMAPT

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