SCHEMBL7054110

SCHEMBL7054110

COCCOCCON(Br)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1C.COCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.55
MAP2K2 P36507 4/20 0.55
RAF1 P04049 1/20 0.55
PDGFRB P09619 1/20 0.55
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55
AURKC Q9UQB9 1/20 0.55
CAMK2A Q9UQM7 1/20 0.55
PIM1 P11309 1/20 0.53
CAMK2B Q13554 1/20 0.53
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47

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
SCHEMBL4861224 0.87 MAP2K1 (0.69) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4851835 0.87 PIM1 (0.68) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7050232 0.85 MAP2K1 (0.53) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7054477 0.85 MAP2K1 (0.55) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4853421 0.85 MAP2K1 (0.72) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4858006 0.84 PIM1 (0.71) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4859935 0.81 MAP2K1 (0.69) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7056346 0.81 MEN1 (0.53) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7054039 0.80 MAP2K1 (0.50) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4863951 0.80 MEN1 (0.58) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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 claimed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO claimed