SCHEMBL30452662

SCHEMBL30452662

Nc1ncc(-c2ccccc2C(F)(F)F)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.61
MAP4K3 Q8IVH8 3/20 0.43
USP7 Q93009 1/20 0.42
CNR2 P34972 1/20 0.39
JAK2 O60674 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MAP4K4 O95819 1/20 0.38
MPO P05164 1/20 0.38
CSF1R P07333 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
BACE1 P56817 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL487923 1.00 MET (0.61) METMAP4K3USP7CNR2JAK2
SCHEMBL487806 0.85 MET (0.60) METMAP4K3USP7JAK2ALOX5AP
SCHEMBL30454267 0.85 MET (0.60) METMAP4K3USP7JAK2ALOX5AP
SCHEMBL30453367 0.85 MET (0.65) METMAP4K3USP7JAK2MAP4K4
SCHEMBL487729 0.85 MET (0.65) METMAP4K3USP7JAK2MAP4K4
SCHEMBL6361398 0.83 MET (0.69) METMAP4K3USP7CNR2JAK2
SCHEMBL30452575 0.82 MET (0.72) METMAP4K3USP7JAK2ALOX5AP
SCHEMBL487522 0.82 MET (0.72) METMAP4K3USP7JAK2ALOX5AP
SCHEMBL487708 0.81 MET (0.74) METMAP4K3JAK2MAP4K4MPO
SCHEMBL488125 0.81 MET (0.63) METMAP4K3USP7MAP4K4PTGER1

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