SCHEMBL30453882

SCHEMBL30453882

CC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccc(C(C)(C)C)cc4)c3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.65
MAP4K4 O95819 1/20 0.53
KCNH2 Q12809 5/20 0.50
ITK Q08881 2/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
MERTK Q12866 1/20 0.45
MAP3K11 Q16584 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
XDH P47989 1/20 0.44
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
USP2 O75604 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
SCHEMBL487799 1.00 MET (0.65) METMAP4K4KCNH2ITKABL1
SCHEMBL30454669 0.93 MET (0.65) METMAP4K4KCNH2ABL1BCR
SCHEMBL488365 0.93 MET (0.65) METMAP4K4KCNH2ABL1BCR
SCHEMBL487936 0.84 MET (0.63) METMAP4K4KCNH2
SCHEMBL10215335 0.84 MET (0.63) METMAP4K4KCNH2
SCHEMBL30453358 0.84 MET (0.63) METMAP4K4KCNH2
SCHEMBL488616 0.83 MAP4K4 (0.75) METMAP4K4XDH
SCHEMBL30453341 0.83 MAP4K4 (0.75) METMAP4K4XDH
SCHEMBL488146 0.80 MET (0.63) METMAP4K4KCNH2MAP3K11HPGD
SCHEMBL30453233 0.80 MET (0.63) METMAP4K4KCNH2MAP3K11HPGD

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