SCHEMBL1712463

SCHEMBL1712463

COc1cnc2ccc(F)c([C@@H](O)CNC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.37
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.34
AURKB Q96GD4 1/20 0.34
PCSK9 Q8NBP7 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
SCHEMBL1712060 0.85 MTNR1A (0.40) GFERHSD17B10L3MBTL1KDM4ENPC1
SCHEMBL3349168 0.85 SERPINE1 (0.35) GFERHSD17B10L3MBTL1DYRK1AKDM4E
SCHEMBL1712460 0.82 TRPA1 (0.36) KCNH2KDM4E
SCHEMBL1712457 0.82 TRPA1 (0.36) KCNH2KDM4E
SCHEMBL1712711 0.82 KDM4E (0.38) GFERHSD17B10L3MBTL1KDM4ENPC1
SCHEMBL1711909 0.82 KDM4E (0.38) GFERHSD17B10L3MBTL1KDM4ENPC1
SCHEMBL1724180 0.81 KCNH2 (0.43) KCNH2
SCHEMBL1722764 0.78 KCNH2 (0.45) KCNH2
SCHEMBL1723590 0.78 KCNH2 (0.40) KCNH2
SCHEMBL1712763 0.78 TRPA1 (0.33) KCNH2KDM4EEGFR

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
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO disclosed