SCHEMBL2172826

SCHEMBL2172826

FC(F)(F)Oc1ccc(NC2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.51
EPHX1 P07099 4/20 0.51
MAPT P10636 2/20 0.50
SYK P43405 1/20 0.48
GALR2 O43603 1/20 0.48
GALR1 P47211 1/20 0.48
FAAH O00519 5/20 0.47
AADAC P22760 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL14916657 0.93 EPHX2 (0.56) EPHX2EPHX1MAPTSYKGALR2
SCHEMBL2093841 0.88 GALR2 (0.46) EPHX2EPHX1MAPTSYKGALR2
SCHEMBL5536264 0.88 EPHX1 (0.64) EPHX2EPHX1MAPTSYKGALR2
SCHEMBL12953404 0.88 EPHX2 (0.56) EPHX2EPHX1MAPTSYKGALR2
SCHEMBL15434152 0.87 EPHX2 (0.50) EPHX2EPHX1MAPTSYKGALR2
SCHEMBL12953406 0.87 EPHX2 (0.50) EPHX2EPHX1MAPTSYKGALR2
SCHEMBL15434091 0.87 EPHX2 (0.50) EPHX2EPHX1MAPTSYKGALR2
Hydrochloric Acid SCHEMBL411544 0.87 EPHX1 (0.63) EPHX2EPHX1MAPTSYKGALR2
SCHEMBL12953129 0.87 EPHX2 (0.58) EPHX2EPHX1MAPTSYKGALR2
SCHEMBL12953553 0.85 PIM1 (0.53) EPHX2EPHX1SYKGALR2GALR1

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-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed