SCHEMBL13201409

SCHEMBL13201409

COC(=O)C(C)/N=C\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.52
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
FAAH O00519 1/20 0.41
PLA2G7 Q13093 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8259717 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL8126152 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL8125280 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL1962036 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL1962034 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL22832244 0.85 MIF (0.42) MIFCA1CA2KMT2AMEN1
SCHEMBL13696288 0.85 MIF (0.42) MIFCA1CA2KMT2AMEN1
SCHEMBL11128185 0.83 MIF (0.50) MIFCA1CA2KMT2AMEN1
SCHEMBL11128186 0.83 MIF (0.50) MIFCA1CA2KMT2AMEN1
SCHEMBL1959830 0.83 MEN1 (0.50) MIFKMT2AMEN1SMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US disclosed
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US disclosed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US disclosed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US disclosed