SCHEMBL1809247

SCHEMBL1809247

COC(=O)c1ncc2c(sc3cccnc32)c1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
EGLN1 Q9GZT9 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
LIMK1 P53667 2/20 0.37
PSMD14 O00487 1/20 0.37
MAP2K1 Q02750 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CLK1 P49759 1/20 0.35
LCK P06239 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
SCHEMBL1809791 0.81 TP53 (0.47) KDM4EEGLN1L3MBTL1LIMK1MAP2K1
SCHEMBL1810754 0.79 EGLN1 (0.73) EGLN1
SCHEMBL1810830 0.77 EGLN1 (0.46) KDM4EEGLN1L3MBTL1LIMK1ALDH1A1
SCHEMBL4858574 0.74 LIMK1 (0.50) KDM4EEGLN1L3MBTL1LIMK1MAP2K1
SCHEMBL967939 0.74 FEN1 (0.55) KDM4EEGLN1L3MBTL1ALDH1A1
SCHEMBL1810341 0.72 EGLN1 (0.40) KDM4EEGLN1L3MBTL1ALDH1A1LCK
SCHEMBL1810167 0.72 EGLN1 (0.40) KDM4EEGLN1L3MBTL1ALDH1A1LMNA
SCHEMBL1974306 0.72 LCK (0.36) KDM4EEGLN1L3MBTL1ALDH1A1LMNA
SCHEMBL22866720 0.72 KDM4E (0.48) KDM4EEGLN1L3MBTL1LIMK1MAP2K1
SCHEMBL29560195 0.72 KDM4E (0.48) KDM4EEGLN1L3MBTL1LIMK1MAP2K1

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