SCHEMBL30453435

SCHEMBL30453435

CC(=O)N1CCN(Cc2c[nH]c3ccc(-c4cnc(N)c(OCc5c(Cl)cccc5Cl)c4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.49
ICMT O60725 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAP3K11 Q16584 2/20 0.38
S1PR1 P21453 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
SOS1 Q07889 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL488123 1.00 MET (0.49) METICMTLMNAHTTKMT2A
SCHEMBL487586 0.89 MET (0.48) METICMTKMT2AMAP3K11S1PR1
SCHEMBL30452622 0.89 MET (0.48) METICMTKMT2AMAP3K11S1PR1
SCHEMBL488007 0.89 MET (0.53) METLMNAHTTS1PR1DRD2
SCHEMBL487309 0.88 MET (0.52) METLMNAHTTS1PR1DRD2
SCHEMBL488422 0.86 MET (0.61) METLMNAKMT2AMEN1S1PR1
SCHEMBL14631921 0.85 MET (0.47) METICMTLMNAHTTS1PR1
SCHEMBL487603 0.85 MET (0.46) METS1PR1SOS1
SCHEMBL487876 0.83 MET (0.48) METICMTHTTS1PR1DRD4
SCHEMBL10215214 0.83 MET (0.48) METICMTHTTS1PR1DRD4

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