SCHEMBL7780228

SCHEMBL7780228

Cc1cc(Br)ccc1Nc1c(C(=O)NOC2CCCC2)ccc(F)c1F.Cc1cc(I)ccc1Nc1c(C(=O)NO)cc(F)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAP2K1 Q02750 17/20 0.46
MAP2K2 P36507 12/20 0.46
RAF1 P04049 1/20 0.46
PDGFRB P09619 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
AURKC Q9UQB9 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44

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
SCHEMBL5608035 0.88 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5396199 0.88 MAP2K1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6227659 0.87 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6228743 0.87 MAP2K1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5388138 0.79 MAP2K1 (0.60) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5403672 0.79 MEN1 (0.66) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5607777 0.79 MEN1 (0.55) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL27471836 0.78 MAP2K1 (0.41) MEN1KMT2ATDP1MAP2K1
SCHEMBL27484395 0.78 MEN1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6230066 0.74 MAP2K1 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed