SCHEMBL1817092

SCHEMBL1817092

COC(=O)c1nc(Cl)c2c(sc3c(Cl)nccc32)c1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.43
KDM4E B2RXH2 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATR Q13535 1/20 0.35
RNASEH1 O60930 1/20 0.34
RCE1 Q9Y256 1/20 0.34
ERCC1 P07992 2/20 0.34
FEN1 P39748 2/20 0.34
ERCC4 Q92889 2/20 0.34
TYK2 P29597 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
COMT P21964 1/20 0.33

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
SCHEMBL1816427 0.84 EGLN1 (0.46) EGLN1KDM4ESMN1; SMN2RNASEH1
SCHEMBL1820872 0.84 EGLN1 (0.44) EGLN1
SCHEMBL1810341 0.82 EGLN1 (0.40) EGLN1KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL1807741 0.82 EGLN1 (0.46) EGLN1KDM4ESMN1; SMN2L3MBTL1ERCC1
SCHEMBL1814831 0.80 EGLN1 (0.69) EGLN1
SCHEMBL1816987 0.79 EGLN1 (0.57) EGLN1
SCHEMBL1816993 0.79 EGLN1 (0.57) EGLN1
SCHEMBL1817497 0.79 EGLN1 (0.53) EGLN1KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL1810830 0.77 EGLN1 (0.46) EGLN1KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL1811763 0.77 EGLN1 (0.43) EGLN1KDM4EPKMALDH1A1SMN1; SMN2

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