SCHEMBL6828047

SCHEMBL6828047

N=C(N)c1ccc(C(N)=O)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.60
PLAU P00749 5/20 0.48
IKBKB O14920 1/20 0.47
F9 P00740 2/20 0.40
F10 P00742 1/20 0.40
DAO P14920 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL6181512 0.89 F2 (0.71) F2IKBKBDAOALDH1A1MAPT
SCHEMBL6354510 0.83 DAO (0.52) F2PLAUDAOALDH1A1MEN1
SCHEMBL2424445 0.80 DAO (0.60) F2IKBKBDAOALDH1A1MEN1
SCHEMBL25191194 0.78 F2 (0.58) F2IKBKBF10DAOALDH1A1
SCHEMBL11160378 0.78 F2 (0.58) F2IKBKBDAOALDH1A1MAPT
SCHEMBL6614850 0.76 F2 (0.56) F2IKBKBDAOALDH1A1MAPT
SCHEMBL92875 0.75
SCHEMBL13473815 0.75
SCHEMBL1976294 0.75
SCHEMBL1688581 0.75

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-6740647-B1 AMIDINES AND HYDROXYAMIDINE DERIVATIVES ABBOTT GMBH & CO., KG (DE) 2004-05-25 US disclosed