SCHEMBL3799771

SCHEMBL3799771

C=Cc1c(C)cnc(COC(C)=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AGXT P21549 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDXK O00764 1/20 0.32
ELANE P08246 1/20 0.30

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
SCHEMBL3393935 0.81 AGXT (0.40) MEN1KMT2AAGXTALDH1A1LMNA
SCHEMBL2110182 0.79 AGXT (0.36) MEN1KMT2AAGXTALDH1A1LMNA
SCHEMBL9784656 0.78 AGXT (0.45) MEN1KMT2AAGXTALDH1A1LMNA
SCHEMBL8195868 0.77 HSP90AA1 (0.39) MEN1KMT2AAGXTALDH1A1LMNA
SCHEMBL3395441 0.77 AGXT (0.37) MEN1KMT2AAGXTALDH1A1LMNA
SCHEMBL3392712 0.77 CA2 (0.38) MEN1KMT2AAGXTALDH1A1LMNA
SCHEMBL7952261 0.76 AGXT (0.62) MEN1KMT2AAGXTALDH1A1HSD17B10
SCHEMBL3395997 0.75 HSP90AA1 (0.39) MEN1KMT2AAGXTALDH1A1LMNA
SCHEMBL6950031 0.72 HSP90AA1 (0.41) MEN1KMT2AAGXTALDH1A1LMNA
SCHEMBL2111929 0.72 ALDH1A1 (0.37) MEN1KMT2AAGXTALDH1A1LMNA

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
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed