SCHEMBL30454018

SCHEMBL30454018

Nc1ncc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1OCc1ccc(F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.52
MET P08581 3/20 0.51
NAMPT P43490 1/20 0.49
TSHR P16473 1/20 0.47
WDR5 P61964 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL488530 1.00 CD274 (0.52) CD274METNAMPTTSHRWDR5
SCHEMBL488424 0.95 CD274 (0.58) CD274MET
SCHEMBL30453287 0.95 CD274 (0.58) CD274MET
SCHEMBL30453420 0.93 MET (0.55) CD274MET
SCHEMBL488220 0.93 MET (0.55) CD274MET
SCHEMBL30454410 0.91 MET (0.55) CD274METCYP2D6CYP2C9
SCHEMBL488059 0.91 MET (0.55) CD274METCYP2D6CYP2C9
SCHEMBL10316748 0.89 MET (0.51) CD274METNAMPTTSHRWDR5
SCHEMBL487659 0.88 MET (0.56) CD274MET
SCHEMBL30452636 0.88 MET (0.56) CD274MET

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