SCHEMBL8210339

SCHEMBL8210339

C=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
EPHX2 P34913 3/20 0.51
LIPE Q05469 2/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
PKLR P30613 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX1 P07099 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47

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
SCHEMBL423931 0.87 KMT2A (0.58) MEN1KMT2AEPHX2LIPENPC1
SCHEMBL29460579 0.84 MEN1 (0.62) MEN1KMT2AEPHX2NPC1PKM
SCHEMBL8218305 0.83 SCN9A (0.47) MEN1KMT2AEPHX2LIPEPKM
SCHEMBL20456429 0.83 USP2 (0.65) MEN1KMT2AEPHX2LMNASMN1; SMN2
SCHEMBL4413446 0.82 MEN1 (0.48) MEN1KMT2AEPHX2LIPENPC1
SCHEMBL27848166 0.82 MEN1 (0.55) MEN1KMT2AEPHX2LIPENPC1
SCHEMBL2291403 0.82 GAA (0.61) MEN1KMT2AEPHX2LIPENPC1
SCHEMBL2297132 0.81 MEN1 (0.54) MEN1KMT2AEPHX2LIPENPC1
SCHEMBL309646 0.81 MAPT (0.58) MEN1KMT2AEPHX2LIPENPC1
SCHEMBL28485534 0.81 LMNA (0.69) MEN1KMT2AEPHX2PKMLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed