SCHEMBL4420766

SCHEMBL4420766

O=C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.81
MEN1 O00255 2/20 0.81
ALDH1A1 P00352 2/20 0.54
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
NR3C1 P04150 1/20 0.50
GBA1 P04062 1/20 0.50
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CHRM4 P08173 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL30032582 1.00 KMT2A (0.81) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL8219230 0.88 KMT2A (0.77) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL31684031 0.87 KMT2A (0.87) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL27596864 0.85 KMT2A (0.84) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL27500250 0.84 KMT2A (0.81) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL4551056 0.83 KMT2A (0.79) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL30150292 0.83 KMT2A (0.79) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL30150274 0.83 KMT2A (0.79) KMT2AMEN1ALDH1A1LMNAGBA1
SCHEMBL8260988 0.80 KMT2A (0.74) KMT2AMEN1ALDH1A1LMNACHRM4
SCHEMBL12656085 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1LMNAHTT

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-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed