SCHEMBL15419065

SCHEMBL15419065

COc1cccc2c(O)c(C(=O)NC(C)(C)C(=O)O)c(=O)n(C)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
HIF1A Q16665 7/20 0.47
TSHR P16473 1/20 0.46
CYP19A1 P11511 1/20 0.44
NQO2 P16083 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CNR2 P34972 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15419154 0.82 HDAC4 (0.53) EGFRSRCHIF1ATSHRMEN1
SCHEMBL10676787 0.82 EGFR (0.70) EGFRSRCHIF1ATSHRCYP19A1
SCHEMBL2382224 0.82 HIF1A (0.53) EGFRSRCHIF1ATSHRCYP19A1
SCHEMBL2383861 0.82 HIF1A (0.64) HIF1A
SCHEMBL2383323 0.81 CYP19A1 (0.52) EGFRSRCHIF1ATSHRCYP19A1
SCHEMBL2384819 0.80 L3MBTL1 (0.49) EGFRSRCHIF1ATSHRCYP19A1
SCHEMBL2384824 0.80 L3MBTL1 (0.49) EGFRSRCHIF1ATSHRCYP19A1
SCHEMBL2384899 0.80 MEN1 (0.65) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL12254449 0.80 HIF1A (0.53) EGFRSRCHIF1ATSHRCYP19A1
SCHEMBL12254448 0.78 L3MBTL1 (0.47) EGFRSRCHIF1ATSHRCYP19A1

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
EP-1960363-B1 QUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS AND USES THEREOF AMGEN INC (US) 2014-01-22 EP claimed