SCHEMBL3638997

SCHEMBL3638997

CC(=NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(I)C1)c1cccc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MMP1 P03956 2/20 0.39
ADAM17 P78536 2/20 0.39
GPR6 P46095 1/20 0.36
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD11B1 P28845 1/20 0.34
P2RX7 Q99572 2/20 0.34
SMYD3 Q9H7B4 4/20 0.33
CACNA1B Q00975 1/20 0.33
AKR1C3 P42330 1/20 0.33
TRPA1 O75762 1/20 0.33
PAX8 Q06710 1/20 0.33
RORC P51449 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
SCHEMBL2811084 0.87 MEN1 (0.44) HCRTR1HCRTR2GPR6MMP13MEN1
SCHEMBL2811085 0.87 MEN1 (0.44) HCRTR1HCRTR2GPR6MMP13MEN1
SCHEMBL2811082 0.87 MEN1 (0.44) HCRTR1HCRTR2GPR6MMP13MEN1
SCHEMBL3636331 0.83 ADAM17 (0.38) HCRTR1HCRTR2MMP1ADAM17GPR6
SCHEMBL8118131 0.77 EPHX2 (0.44) GPR6MMP13MEN1KMT2AAKR1C3
SCHEMBL2810661 0.77 EPHX2 (0.44) GPR6MMP13MEN1KMT2AAKR1C3
SCHEMBL2810663 0.77 EPHX2 (0.44) GPR6MMP13MEN1KMT2AAKR1C3
SCHEMBL13167796 0.74 LMNA (0.40) HCRTR1HCRTR2MEN1KMT2ARORC
SCHEMBL13130724 0.73 EPHX2 (0.43) MMP13MEN1KMT2A
SCHEMBL1677066 0.71 GPR6 (0.48) HCRTR1HCRTR2GPR6MMP13MEN1

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