SCHEMBL30453033

SCHEMBL30453033

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)s2)nc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MET P08581 4/20 0.43
CSF1R P07333 1/20 0.40
ACKR3 P25106 2/20 0.39
ATR Q13535 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 4/20 0.36
MTOR P42345 4/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
IKBKG Q9Y6K9 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL488785 1.00 L3MBTL3 (0.45) L3MBTL3L3MBTL1METCSF1RACKR3
SCHEMBL30453950 0.86 KDM4E (0.40) METCSF1RATRMTORHRH3
SCHEMBL488731 0.86 KDM4E (0.40) METCSF1RATRMTORHRH3
SCHEMBL488190 0.86 MET (0.54) L3MBTL3L3MBTL1METCSF1RATR
SCHEMBL30453638 0.86 MET (0.54) L3MBTL3L3MBTL1METCSF1RATR
SCHEMBL30452767 0.85 MET (0.54) L3MBTL3L3MBTL1METPIK3CAMTOR
SCHEMBL487710 0.85 MET (0.54) L3MBTL3L3MBTL1METPIK3CAMTOR
SCHEMBL488097 0.84 ATR (0.56) L3MBTL3L3MBTL1METCSF1RATR
SCHEMBL30453351 0.84 ATR (0.56) L3MBTL3L3MBTL1METCSF1RATR
SCHEMBL488332 0.83 MET (0.60) METCSF1RATRHRH3

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