SCHEMBL7122822

SCHEMBL7122822

CN(c1ccccc1)S(=O)(=O)c1c(F)c(F)c(Nc2ccc(I)cc2)c(C(N)=O)c1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.35
MEN1 O00255 5/20 0.35
POLB P06746 2/20 0.35
MAP2K1 Q02750 7/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
KAT6A Q92794 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TNIK Q9UKE5 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
SCHEMBL7463477 0.84 ITGA1 (0.37) KMT2AMEN1MAP2K1TDP1KAT6A
SCHEMBL7464207 0.84 CCR6 (0.34) KMT2AMEN1MAP2K1TDP1MAPT
SCHEMBL7455817 0.83 KDM4E (0.40) KMT2AMEN1MAP2K1TDP1MAPT
SCHEMBL7117133 0.82 HDAC6 (0.35) KMT2AMEN1MAP2K1TDP1
SCHEMBL7123741 0.81 NAMPT (0.38) MAP2K1
SCHEMBL7785868 0.79 CXCR3 (0.34) KMT2AMEN1TDP1TSHR
SCHEMBL7118600 0.79 JAK2 (0.40) POLBALDH1A1TSHR
SCHEMBL7115296 0.77 JAK2 (0.38) MAP2K1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL7783692 0.77 HDAC6 (0.37) KMT2AMEN1TDP1
SCHEMBL7122977 0.77 NAMPT (0.35) MAP2K1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504401-A 2003-02-04 JP claimed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed