SCHEMBL7454752

SCHEMBL7454752

Cc1cc(S(C)(=O)=O)ccc1Nc1c(C(N)=O)cc(OCC2CC2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC6A9 P48067 5/20 0.43
PDE4B Q07343 3/20 0.42
BRD4 O60885 10/20 0.40
KCNH2 Q12809 2/20 0.40
KAT6A Q92794 1/20 0.39

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
SCHEMBL6947451 0.80 MEN1 (0.75) MEN1KMT2ATDP1SLC6A9KAT6A
SCHEMBL7806590 0.78 MEN1 (0.44) MEN1KMT2ATDP1PDE4BKCNH2
SCHEMBL6944499 0.78 MEN1 (0.62) MEN1KMT2ATDP1SLC6A9PDE4B
SCHEMBL6944968 0.78 MAP2K1 (0.61) MEN1KMT2ATDP1
SCHEMBL1078849 0.76 MAP2K1 (0.62) MEN1KMT2ATDP1PDE4B
SCHEMBL7784128 0.74 MEN1 (0.45) MEN1KMT2ATDP1
SCHEMBL20155682 0.71 BRD4 (0.59) SLC6A9BRD4
SCHEMBL6948716 0.70 AURKA (0.51) MEN1KMT2ATDP1PDE4B
SCHEMBL6947424 0.70 MEN1 (0.63) MEN1KMT2ATDP1PDE4B
SCHEMBL7848269 0.69 MEN1 (0.48) MEN1KMT2ATDP1

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-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed