SCHEMBL7115296

SCHEMBL7115296

NC(=O)c1c(Nc2ccc(I)cc2)c(F)c(F)c(S(=O)(=O)NCc2ccncc2)c1OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NAMPT P43490 11/20 0.37
CNR2 P34972 1/20 0.34
CA2 P00918 1/20 0.34
MAP2K1 Q02750 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NR2F2 P24468 1/20 0.34
HTT P42858 1/20 0.34
BUB1 O43683 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
SCHEMBL7118600 0.88 JAK2 (0.40) JAK2JAK1CNR2ALDH1A1
SCHEMBL7117133 0.86 HDAC6 (0.35) NAMPTMAP2K1BUB1
SCHEMBL7783692 0.84 HDAC6 (0.37) BUB1
SCHEMBL7463477 0.83 ITGA1 (0.37) CA2MAP2K1
SCHEMBL7123741 0.79 NAMPT (0.38) JAK2JAK1NAMPTMAP2K1BUB1
SCHEMBL7784132 0.78 KMT2A (0.46) NAMPTCA2MAP2K1SMN1; SMN2ALDH1A1
SCHEMBL7122822 0.77 KMT2A (0.35) MAP2K1LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL7122977 0.77 NAMPT (0.35) JAK2JAK1NAMPTCA2MAP2K1
SCHEMBL7464207 0.77 CCR6 (0.34) MAP2K1SMN1; SMN2BUB1
SCHEMBL6264183 0.77 MEN1 (0.49) JAK2JAK1NAMPTCNR2MAP2K1

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