SCHEMBL3636331

SCHEMBL3636331

N#Cc1cccc(C=NOC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C(I)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.38
MMP1 P03956 3/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GPR6 P46095 1/20 0.36
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
P4HB P07237 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.32
PAX8 Q06710 1/20 0.32
RORC P51449 1/20 0.32
SFRP1 Q8N474 1/20 0.32
P2RX7 Q99572 1/20 0.32
LIPE Q05469 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL2808573 0.87 MEN1 (0.45) MEN1KMT2AGPR6EPHX2RORC
SCHEMBL2808569 0.87 MEN1 (0.45) MEN1KMT2AGPR6EPHX2RORC
SCHEMBL3638997 0.83 HCRTR1 (0.39) ADAM17MMP1HCRTR1HCRTR2MEN1
SCHEMBL13167738 0.73 P4HB (0.41) ADAM17MMP1HCRTR1HCRTR2EPHX2
SCHEMBL13130722 0.71 EPHX2 (0.44) MEN1KMT2AEPHX2LIPEMMP13
SCHEMBL2811084 0.68 MEN1 (0.44) HCRTR1HCRTR2MEN1KMT2AGPR6
SCHEMBL2811082 0.68 MEN1 (0.44) HCRTR1HCRTR2MEN1KMT2AGPR6
SCHEMBL2811085 0.68 MEN1 (0.44) HCRTR1HCRTR2MEN1KMT2AGPR6
SCHEMBL2810663 0.68 EPHX2 (0.44) MEN1KMT2AGPR6EPHX2SFRP1
SCHEMBL8118131 0.68 EPHX2 (0.44) MEN1KMT2AGPR6EPHX2SFRP1

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-2164325-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF Shionogi&Co., Ltd. (JP) 2010-03-24 EP disclosed
WO-2008150470-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-12-11 WO disclosed