SCHEMBL3637085

SCHEMBL3637085

N#Cc1cccc(C(=NOC2CCN([S+]([O-])c3ccc(OC(F)(F)F)cc3)CC2)C2CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.34
HSD11B1 P28845 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC9A1 P19634 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ABL1 P00519 1/20 0.31
HRH1 P35367 2/20 0.31
CCR3 P51677 2/20 0.31
EPHX2 P34913 1/20 0.31
CCR5 P51681 2/20 0.30
NTRK1 P04629 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL2810661 0.83 EPHX2 (0.44) EPHX2
SCHEMBL2810663 0.83 EPHX2 (0.44) EPHX2
SCHEMBL8118131 0.83 EPHX2 (0.44) EPHX2
SCHEMBL2811085 0.72 MEN1 (0.44) HCRTR1HCRTR2EPHX2
SCHEMBL2811084 0.72 MEN1 (0.44) HCRTR1HCRTR2EPHX2
SCHEMBL2811082 0.72 MEN1 (0.44) HCRTR1HCRTR2EPHX2
SCHEMBL13167769 0.70 LMNA (0.41) HCRTR1HCRTR2EPHX2
SCHEMBL7950089 0.69 CARM1 (0.39) HCRTR1EPHX2
SCHEMBL7945321 0.69 CARM1 (0.39) HCRTR1EPHX2
SCHEMBL13130723 0.68 EPHX2 (0.44) EPHX2

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