SCHEMBL2171738

SCHEMBL2171738

O=C(O)C(=O)NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(I)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.43
LIPE Q05469 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP13 P45452 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
DPP4 P27487 6/20 0.41
DPP7 Q9UHL4 5/20 0.41
KCNH2 Q12809 3/20 0.40
EPHX1 P07099 2/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
MMP2 P08253 1/20 0.39
AKR1C3 P42330 1/20 0.38
TRPA1 O75762 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL1677139 0.83 EPHX2 (0.57) EPHX2LIPEMEN1KMT2AMMP13
SCHEMBL539326 0.76 EPHX2 (0.42) EPHX2LIPEMEN1KMT2AMMP13
SCHEMBL2173168 0.75 EPHX2 (0.57) EPHX2LIPEMEN1KMT2AMMP13
SCHEMBL539061 0.75 EPHX2 (0.46) EPHX2LIPEMEN1KMT2AMMP13
SCHEMBL538758 0.74 EPHX2 (0.46) EPHX2LIPEMMP13MMP1MMP9
SCHEMBL1676913 0.73 EPHX2 (0.63) EPHX2LIPEMEN1KMT2AMMP13
SCHEMBL3717658 0.72 ALDH1A1 (0.56) EPHX2LIPEMEN1KMT2AMMP13
SCHEMBL1676930 0.71 EPHX2 (0.52) EPHX2LIPEMEN1KMT2AMMP13
SCHEMBL1677075 0.71 EPHX2 (0.56) EPHX2LIPEMEN1KMT2AMMP13
SCHEMBL1677130 0.71 EPHX2 (0.52) EPHX2LIPEMEN1KMT2AMMP13

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