SCHEMBL7725940

SCHEMBL7725940

O=P(O)(O)c1ccc(-c2nc3c(-c4ccccc4)cc(C(F)(F)F)cc3[nH]2)o1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.43
FBP1 P09467 10/20 0.42
NPBWR1 P48145 1/20 0.40
METAP2 P50579 1/20 0.39
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
CNR2 P34972 1/20 0.38
CBFB Q13951 1/20 0.38
MET P08581 2/20 0.37
PARP1 P09874 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
SCHEMBL6829931 0.84 FBP1 (0.41) FBP1NPBWR1METAP2DGAT1KCNH2
SCHEMBL6826883 0.83 EGLN1 (0.41) FBP1CBFB
SCHEMBL6826910 0.77 NPBWR1 (0.51) NPBWR1DGAT1KCNH2CBFB
SCHEMBL6826904 0.75 DGAT1 (0.40) FBP1NPBWR1DGAT1KCNH2CBFB
SCHEMBL6830141 0.74 FBP1 (0.40) FBP1CNR2PARP1
Water SCHEMBL1799673 0.73 FBP1 (0.39) FBP1CNR2PARP1
SCHEMBL6831937 0.70 FBP1 (0.40) FBP1PARP1
SCHEMBL6826888 0.70 FBP1 (0.38) FBP1
SCHEMBL21496711 0.70 METAP2 (0.51) HDAC11NPBWR1METAP2DGAT1KCNH2
SCHEMBL6829765 0.70 MMP2 (0.56) FBP1

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-6399782-B1 ANTIDIABETIC AGENTS METABASIS THERAPEUTICS, INC. 2002-06-04 US disclosed