SCHEMBL30453431

SCHEMBL30453431

CC(Oc1cc(-c2cccc(C(=O)NCCCN3CCCC3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.65
SMYD2 Q9NRG4 4/20 0.49
JAK2 O60674 1/20 0.47
ATR Q13535 2/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
FYN P06241 1/20 0.45
MAP4K4 O95819 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
F10 P00742 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
SCHEMBL488344 1.00 MET (0.65) METSMYD2JAK2ATRDRD2
SCHEMBL488314 0.95 MET (0.71) METJAK2ATRDRD2DRD4
SCHEMBL30452645 0.95 MET (0.71) METJAK2ATRDRD2DRD4
SCHEMBL488611 0.93 MET (0.74) METJAK2DRD2DRD4F10
SCHEMBL30453655 0.93 MET (0.74) METJAK2DRD2DRD4F10
SCHEMBL488563 0.92 MET (0.78) METJAK2
SCHEMBL30452930 0.92 MET (0.78) METJAK2
SCHEMBL488406 0.90 MET (0.71) METJAK2
SCHEMBL30453350 0.90 MET (0.71) METJAK2
SCHEMBL30453726 0.88 MET (0.62) METMAP4K4MAPK8MAPK10

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