SCHEMBL1816993

SCHEMBL1816993

CC(NC(=O)c1nc(Cl)c2c(sc3c(Cl)nccc32)c1O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.57
FTO Q9C0B1 3/20 0.57
BBOX1 O75936 2/20 0.57
KDM4C Q9H3R0 1/20 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
SCHEMBL1816987 1.00 EGLN1 (0.57) EGLN1FTOBBOX1KDM4C
SCHEMBL27790187 0.83 EGLN1 (0.68) EGLN1FTOBBOX1
SCHEMBL1270049 0.83 EGLN1 (0.68) EGLN1FTOBBOX1
SCHEMBL1810514 0.81 EGLN1 (0.46) EGLN1FTOBBOX1KDM4C
SCHEMBL1810525 0.81 EGLN1 (0.46) EGLN1FTOBBOX1KDM4C
SCHEMBL1816427 0.81 EGLN1 (0.46) EGLN1FTOBBOX1
SCHEMBL1814831 0.81 EGLN1 (0.69) EGLN1FTOBBOX1
SCHEMBL1810099 0.80 EGLN1 (0.51) EGLN1FTOBBOX1KDM4C
SCHEMBL1810108 0.80 EGLN1 (0.51) EGLN1FTOBBOX1KDM4C
SCHEMBL1819983 0.80 EGLN1 (0.54) EGLN1FTOBBOX1KDM4C

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