SCHEMBL30453573

SCHEMBL30453573

Nc1ncc(-c2ccc3[nH]c(C(=O)N4CC[C@H](N)C4)cc3c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.50
ABCB1 P08183 10/20 0.42
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
AKR1C3 P42330 1/20 0.39

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
SCHEMBL487846 1.00 MET (0.50) METABCB1MEN1RAB9AKMT2A
SCHEMBL30453239 0.90 MET (0.48) METABCB1
SCHEMBL487826 0.90 MET (0.48) METABCB1
SCHEMBL10215231 0.90 MET (0.48) METABCB1MEN1RAB9AKMT2A
SCHEMBL5484750 0.87 MET (0.58) METABCB1
SCHEMBL30452497 0.87 MET (0.52) METABCB1
SCHEMBL487621 0.87 MET (0.52) METABCB1
SCHEMBL488080 0.85 PARP1 (0.45) METABCB1
SCHEMBL30452443 0.85 PARP1 (0.45) METABCB1
SCHEMBL488203 0.83 MET (0.61) MET

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