SCHEMBL7122095

SCHEMBL7122095

C#Cc1ccc(Nc2c(F)c(F)c(F)c(OCC3CC3)c2C(N)=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.40
MAP2K1 Q02750 11/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MAP2K2 P36507 2/20 0.34
CNR2 P34972 1/20 0.33
KAT6A Q92794 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAF1 P04049 1/20 0.33
PDGFRB P09619 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 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
SCHEMBL7120487 0.83 MEN1 (0.43) MEN1KMT2ATDP1MAPK1MAP2K1
SCHEMBL7809609 0.78 MEN1 (0.40) MEN1KMT2ATDP1MAPK1MAP2K1
SCHEMBL6947497 0.76 MEN1 (0.75) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6946598 0.75 MEN1 (0.62) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6945033 0.74 MAP2K1 (0.61) MEN1KMT2ATDP1MAPK1MAP2K1
SCHEMBL7808212 0.72 MEN1 (0.35) MEN1KMT2ATDP1MAP2K1CNR2
SCHEMBL6946591 0.71 MEN1 (0.43) MEN1KMT2ATDP1MAPK1MAP2K1
SCHEMBL3860786 0.71 MEN1 (0.41) MEN1KMT2ATDP1MAP2K1PARP2
SCHEMBL7119888 0.70 MEN1 (0.55) MEN1KMT2ATDP1MAPK1MAP2K1
SCHEMBL3860779 0.70 MEN1 (0.54) MEN1KMT2ATDP1MAP2K1MAP2K2

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