SCHEMBL30453638

SCHEMBL30453638

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)nc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.54
ATR Q13535 2/20 0.53
CSF1R P07333 1/20 0.53
MERTK Q12866 2/20 0.44
L3MBTL1 Q9Y468 8/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL3 Q96JM7 8/20 0.43
MBTD1 Q05BQ5 5/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
AXL P30530 1/20 0.43
KCNH2 Q12809 1/20 0.42
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL488190 1.00 MET (0.54) METATRCSF1RMERTKL3MBTL1
SCHEMBL488097 0.91 ATR (0.56) METATRCSF1RMERTKL3MBTL1
SCHEMBL30453351 0.91 ATR (0.56) METATRCSF1RMERTKL3MBTL1
SCHEMBL488407 0.88 CSF1R (0.68) METATRCSF1RMERTKL3MBTL1
SCHEMBL30454186 0.88 CSF1R (0.68) METATRCSF1RMERTKL3MBTL1
SCHEMBL487921 0.87 KCNH2 (0.58) METATRCSF1RKCNH2
SCHEMBL10216280 0.87 KCNH2 (0.58) METATRCSF1RKCNH2
SCHEMBL30453824 0.87 KCNH2 (0.58) METATRCSF1RKCNH2
SCHEMBL30453528 0.86 KCNH2 (0.53) METATRCSF1RKCNH2
SCHEMBL488017 0.86 KCNH2 (0.53) METATRCSF1RKCNH2

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