SCHEMBL5592963

SCHEMBL5592963

C=CCOc1ccc(-c2nc(CC(=O)Cc3ccccc3OCC)co2)cc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL4641168 0.97 LMNA (0.35) LMNAKDM4EHSD17B10NPC1RAB9A
SCHEMBL5592918 0.93 LMNA (0.39) LMNAKDM4EHSD17B10NPC1RAB9A
SCHEMBL4639468 0.93 KDM4E (0.40) LMNAKDM4EHSD17B10NPC1RAB9A
SCHEMBL4641214 0.92 LMNA (0.39) LMNAKDM4EHSD17B10NPC1RAB9A
SCHEMBL4639925 0.89 KDM4E (0.41) LMNAKDM4EHSD17B10USP2MAPT
SCHEMBL4639709 0.88 LMNA (0.37) LMNAKDM4EHSD17B10NPC1RAB9A
SCHEMBL4641365 0.87 LMNA (0.38) LMNAKDM4EHSD17B10RAB9AUSP2
SCHEMBL4639660 0.86 KDM4E (0.41) LMNAKDM4EHSD17B10NPC1RAB9A
SCHEMBL5592764 0.85 PARP1 (0.39) LMNAKDM4EHSD17B10USP2MAPT
SCHEMBL4640052 0.85 KDM4E (0.46) LMNAKDM4EHSD17B10NPC1RAB9A

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-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed