SCHEMBL30452733

SCHEMBL30452733

CC(Oc1nc(-c2cccc(C(=O)NCCCN3CCCC3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.55
CHEK2 O96017 1/20 0.55
ATR Q13535 4/20 0.53
SMYD2 Q9NRG4 4/20 0.49
MAP4K4 O95819 1/20 0.47
TP53 P04637 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
IKBKB O14920 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 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
SCHEMBL488699 1.00 MET (0.55) METCHEK2ATRSMYD2MAP4K4
SCHEMBL488359 0.95 ATR (0.59) METCHEK2ATRMAP4K4IKBKB
SCHEMBL30453791 0.95 ATR (0.59) METCHEK2ATRMAP4K4IKBKB
SCHEMBL487993 0.93 MET (0.63) METCHEK2ATRDRD2
SCHEMBL30453082 0.93 MET (0.63) METCHEK2ATRDRD2
SCHEMBL488485 0.92 MET (0.62) METCHEK2ATRSMYD2MAP4K4
SCHEMBL30453330 0.92 MET (0.62) METCHEK2ATRSMYD2MAP4K4
SCHEMBL488299 0.90 MET (0.56) METCHEK2ATRSMYD2MAP4K4
SCHEMBL30452920 0.90 MET (0.56) METCHEK2ATRSMYD2MAP4K4
SCHEMBL27650159 0.89 ATR (0.50) METCHEK2ATRSMYD2MAP4K4

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