SCHEMBL7051997

SCHEMBL7051997

CC(O)(ONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1Cl)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.53
MAP2K2 P36507 5/20 0.53
CSNK2A2 P19784 2/20 0.53
RAF1 P04049 1/20 0.53
PDGFRB P09619 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
AURKC Q9UQB9 1/20 0.53
CAMK2A Q9UQM7 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PIM1 P11309 1/20 0.39
CAMK2B Q13554 1/20 0.39
SMC2 O95347 1/20 0.39
EGFR P00533 1/20 0.39
SMC1A Q14683 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
Q6ZSR9 Q6ZSR9 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
SCHEMBL7047897 0.92 MAP2K1 (0.55) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL7052553 0.91 MAP2K1 (0.57) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL7051408 0.91 MAP2K1 (0.63) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7047992 0.86 MAP2K1 (0.47) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4856547 0.86 MAP2K1 (0.58) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL7055294 0.85 MAP2K1 (0.53) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4858796 0.85 MAP2K1 (0.58) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4859924 0.85 MAP2K1 (0.58) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4860732 0.85 MAP2K1 (0.53) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4861076 0.83 MAP2K1 (0.55) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB

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-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO disclosed