SCHEMBL1807613

SCHEMBL1807613

Cc1nc(C(=O)N[C@@H](C)C(=O)O)c(O)c2sc3cccnc3c12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.48
BBOX1 O75936 2/20 0.44
FTO Q9C0B1 1/20 0.44
KDM4C Q9H3R0 1/20 0.35
LIMK1 P53667 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
HSP90AA1 P07900 2/20 0.34
PAX8 Q06710 2/20 0.34
KDM4E B2RXH2 2/20 0.33
SLC2A1 P11166 1/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
HPGD P15428 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL1807792 0.89 EGLN1 (0.54) EGLN1BBOX1FTOKDM4C
SCHEMBL1819983 0.89 EGLN1 (0.54) EGLN1BBOX1FTOKDM4C
SCHEMBL1809954 0.89 EGLN1 (0.54) EGLN1BBOX1FTOKDM4C
SCHEMBL1806922 0.88 EGLN1 (0.46) EGLN1RAB9ANPC1HSP90AA1PAX8
SCHEMBL1811891 0.82 EGLN1 (0.72) EGLN1BBOX1FTO
SCHEMBL1810525 0.80 EGLN1 (0.46) EGLN1BBOX1FTOKDM4CMEN1
SCHEMBL1810514 0.80 EGLN1 (0.46) EGLN1BBOX1FTOKDM4CMEN1
SCHEMBL1811644 0.79 EGLN1 (0.45) EGLN1BBOX1FTORAB9ANPC1
SCHEMBL1809817 0.77 EGLN1 (0.46) EGLN1BBOX1FTOKDM4CMEN1
SCHEMBL1809823 0.77 EGLN1 (0.46) EGLN1BBOX1FTOKDM4CMEN1

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 3 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
WO-2011056725-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-05-12 WO disclosed