SCHEMBL1808807

SCHEMBL1808807

O=C(O)CNC(=O)c1nc(Cl)c2c(sc3cnc(C(F)(F)F)cc32)c1O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 18/20 0.62
BBOX1 O75936 2/20 0.44
FTO Q9C0B1 1/20 0.44
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
EGLN3 Q9H6Z9 4/20 0.37
HSD17B13 Q7Z5P4 2/20 0.36
TET3 O43151 1/20 0.35
VEGFA P15692 1/20 0.35
FLT1 P17948 1/20 0.35
ASPH Q12797 1/20 0.35
TET2 Q6N021 1/20 0.35
KDM8 Q8N371 1/20 0.35
OGFOD1 Q8N543 1/20 0.35
TET1 Q8NFU7 1/20 0.35
HIF1AN Q9NWT6 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL1809219 0.87 EGLN1 (0.68) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270194 0.85 EGLN1 (0.69) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1811870 0.84 EGLN1 (0.47) EGLN1BBOX1FTO
SCHEMBL1811865 0.84 EGLN1 (0.47) EGLN1BBOX1FTO
SCHEMBL1270012 0.80 EGLN1 (0.73) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1269880 0.79 EGLN1 (0.76) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1811637 0.78 EGLN1 (0.66) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270563 0.78 EGLN1 (0.67) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1269966 0.78 EGLN1 (0.73) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270239 0.78 EGLN1 (0.73) EGLN1BBOX1FTOTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011056725-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-05-12 WO claimed
WO-2011056725-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-05-12 WO disclosed