SCHEMBL7115809

SCHEMBL7115809

Cc1cc(I)ccc1Nc1c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc2[nH]cnc2c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 3/20 0.36
MAP2K1 Q02750 12/20 0.36
MAP2K2 P36507 8/20 0.36
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.34
PIM1 P11309 1/20 0.33
CAMK2B Q13554 1/20 0.33
BRAF P15056 1/20 0.33
MAP2K5 Q13163 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
SCHEMBL5988253 0.87 IDO1 (0.47) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL5990169 0.85 MEN1 (0.43) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL4851861 0.81 MEN1 (0.60) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL5741582 0.80 MAP2K1 (0.49) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL14590716 0.80 MAP2K1 (0.47) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL1040434 0.79 NR4A2 (0.40) MEN1KMT2AMAP2K1GFERSMN1; SMN2
SCHEMBL1077501 0.79 MAPT (0.41) MEN1KMT2AMAP2K1MAP2K2GFER
SCHEMBL3862123 0.79 MEN1 (0.71) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4854904 0.79 MEN1 (0.50) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL4860826 0.79 MEN1 (0.50) MEN1KMT2ATDP1IDO1MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504398-A 2003-02-04 JP claimed
EP-1202731-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP claimed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
EP-1202731-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed