SCHEMBL4045126

SCHEMBL4045126

CNS(=O)(=O)N1CCn2c(c(C(=O)O)c(Cl)c2-c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CSNK1E P49674 12/20 0.36
AGTR1 P30556 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MMP14 P50281 4/20 0.34
ADAMTS5 Q9UNA0 4/20 0.34

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
SCHEMBL13964296 0.83 MEN1 (0.35) KMT2AMEN1CSNK1EMMP14ADAMTS5
SCHEMBL4043718 0.80 CSNK1E (0.41) KMT2AMEN1CSNK1E
SCHEMBL6632666 0.79 LMNA (0.47) KMT2AMEN1KDM4E
SCHEMBL6653014 0.78 PKM (0.47) KMT2AMEN1
SCHEMBL4044860 0.77 LMNA (0.43)
SCHEMBL4041706 0.77 CSNK1E (0.42) KMT2AMEN1CSNK1E
SCHEMBL4040415 0.76 KMT2A (0.41) KMT2AMEN1CSNK1EKDM4E
SCHEMBL4037674 0.76 CSNK1E (0.42) KMT2AMEN1CSNK1E
SCHEMBL4044206 0.75 KMT2A (0.42) KMT2AMEN1CSNK1E
SCHEMBL14394090 0.74 CSNK1E (0.37) CSNK1E

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
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed