SCHEMBL30453384

SCHEMBL30453384

Nc1ncc(-c2ccc(O)cc2)cc1OCc1c(F)cccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.84
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAP4K4 O95819 1/20 0.46
USP7 Q93009 3/20 0.45
JAK2 O60674 1/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
FYN P06241 2/20 0.43
TGFBR1 P36897 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
SCHEMBL487969 1.00 MET (0.84) METMEN1KMT2ARAB9AKDM4E
SCHEMBL30453987 0.92 MET (1.00) METMAP4K4USP7MAP4K3FYN
SCHEMBL487592 0.92 MET (0.73) METMAP4K4USP7FYNTGFBR1
SCHEMBL30452529 0.92 MET (0.73) METMAP4K4USP7FYNTGFBR1
SCHEMBL487830 0.92 MET (1.00) METMAP4K4USP7MAP4K3FYN
SCHEMBL488145 0.91 MET (0.68) METMEN1KMT2ARAB9AKDM4E
SCHEMBL487893 0.88 MET (0.65) METSMN1; SMN2MAP4K4
SCHEMBL30454009 0.88 MET (0.65) METSMN1; SMN2MAP4K4
SCHEMBL27630135 0.87 MET (0.64) METMEN1KMT2ARAB9AKDM4E
SCHEMBL488042 0.85 MET (0.79) METMAP4K4JAK2MAP4K3FYN

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