SCHEMBL30453970

SCHEMBL30453970

Nc1ncc(-c2ccccn2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.66
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PPP1CA P62136 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSF1R P07333 1/20 0.42
CHEK2 O96017 1/20 0.42
MAP4K4 O95819 1/20 0.41
MPO P05164 1/20 0.41
MAP4K3 Q8IVH8 2/20 0.41
RAB9A P51151 2/20 0.40
SYK P43405 1/20 0.40
MAPT P10636 1/20 0.40
FFAR1 O14842 1/20 0.40
GRM5 P41594 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL488238 1.00 MET (0.66) METNPC1SMN1; SMN2HTTL3MBTL1
SCHEMBL30453451 0.88 MAP4K3 (0.53) METNPC1SMN1; SMN2HTTCSF1R
SCHEMBL488849 0.88 MAP4K3 (0.53) METNPC1SMN1; SMN2HTTCSF1R
SCHEMBL487907 0.84 MET (0.81) METCSF1RMAP4K4MPOMAP4K3
SCHEMBL30453706 0.83 MET (0.46) METNPC1SMN1; SMN2HTTL3MBTL1
SCHEMBL488033 0.83 MET (0.46) METNPC1SMN1; SMN2HTTL3MBTL1
Water SCHEMBL28121971 0.83 MET (0.79) METCSF1RMAP4K4MPOMAP4K3
SCHEMBL488281 0.82 MAP4K3 (0.49) METNPC1SMN1; SMN2HTTL3MBTL1
SCHEMBL30454994 0.82 MAP4K3 (0.49) METNPC1SMN1; SMN2HTTL3MBTL1
SCHEMBL487739 0.82 MET (0.77) METNPC1SMN1; SMN2CSF1RMAP4K4

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