SCHEMBL30452867

SCHEMBL30452867

COc1ccc(COc2cc(-c3ccccc3)cnc2N)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
MAP4K4 O95819 1/20 0.53
FYN P06241 7/20 0.51
CSF1R P07333 2/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.46
MET P08581 2/20 0.45
JAK2 O60674 1/20 0.45
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
MAPT P10636 1/20 0.43
CASP1 P29466 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
SCHEMBL487837 1.00 LMNA (0.53) LMNAHTTMAP4K4FYNCSF1R
SCHEMBL30453441 0.81 MAP4K3 (0.60) HTTMAP4K4FYNSMN1; SMN2MET
SCHEMBL487975 0.81 MAP4K3 (0.60) HTTMAP4K4FYNSMN1; SMN2MET
SCHEMBL488178 0.80 MAP4K4 (0.75) MAP4K4FYNMETJAK2
SCHEMBL488734 0.78 NPC1 (0.61) MAP4K4FYNALDH1A1METJAK2
SCHEMBL30453760 0.78 NPC1 (0.61) MAP4K4FYNALDH1A1METJAK2
SCHEMBL487796 0.77 MET (0.57) MAP4K4FYNMETJAK2MAPT
Water SCHEMBL28122580 0.76 MET (0.56) MAP4K4FYNMETJAK2MAPT
SCHEMBL487622 0.75 MET (0.52) MAP4K4FYNMETJAK2MAPT
SCHEMBL15338674 0.75 MAP4K4 (0.60) MAP4K4FYNMETJAK2

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