SCHEMBL1808866

SCHEMBL1808866

O=C(O)CNC(=O)c1nc(Cl)c2c(sc3ncccc32)c1O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 16/20 0.71
FTO Q9C0B1 4/20 0.57
BBOX1 O75936 1/20 0.57
EGLN2 Q96KS0 1/20 0.49
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KDM5B Q9UGL1 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44

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
SCHEMBL1811321 0.88 EGLN1 (0.72) EGLN1FTOBBOX1EGLN2THRA
SCHEMBL1269131 0.83 EGLN1 (1.00) EGLN1FTOBBOX1THRATHRB
SCHEMBL1814831 0.83 EGLN1 (0.69) EGLN1FTOBBOX1EGLN2THRA
SCHEMBL1810773 0.83 EGLN1 (0.71) EGLN1FTOBBOX1EGLN2THRA
SCHEMBL1269142 0.81 EGLN1 (0.72) EGLN1FTOBBOX1THRATHRB
SCHEMBL1807741 0.81 EGLN1 (0.46) EGLN1
SCHEMBL1270251 0.77 EGLN1 (0.76) EGLN1FTOBBOX1THRATHRB
SCHEMBL1269880 0.77 EGLN1 (0.76) EGLN1FTOBBOX1THRATHRB
SCHEMBL1809219 0.76 EGLN1 (0.68) EGLN1FTOBBOX1THRATHRB
SCHEMBL1269966 0.75 EGLN1 (0.73) EGLN1FTOBBOX1THRATHRB

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