SCHEMBL4467425

SCHEMBL4467425

CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 1/20 0.66
HSP90AA1 P07900 1/20 0.66
CRHBP P24387 1/20 0.66
CRHR2 Q13324 1/20 0.66
CDC7 O00311 9/20 0.54
DBF4 Q9UBU7 9/20 0.54
TRPM8 Q7Z2W7 5/20 0.54
DHODH Q02127 1/20 0.52
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3739958 0.88 MAPT (0.73) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL4478832 0.83 CDC7 (0.75) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL4809770 0.82 MAPT (0.70) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL2886858 0.81 MAPT (0.80) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL4473140 0.80 MAPT (0.61) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL4467427 0.80 MAPT (0.67) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL8341363 0.80 MAPT (0.78) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL4801129 0.80 MAPT (0.78) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL4484447 0.79 MAPT (0.76) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL4804421 0.79 MAPT (0.76) MEN1KMT2AMAPTKDM4EHSP90AA1

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
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed